SCHEMBL6299448

SCHEMBL6299448

CCC(C)(C)c1ccc(CCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.46
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
CNR2 P34972 2/20 0.38
MAOB P27338 5/20 0.37
HRH3 Q9Y5N1 5/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10539133 0.84 ESR1 (0.43) NPC1RAB9AMAPTESR1ESR2
SCHEMBL779443 0.83 NPC1 (0.58) NPC1RAB9AMAPTESR1ESR2
SCHEMBL11539224 0.81 NPC1 (0.48) NPC1RAB9AMAPTESR1ESR2
SCHEMBL4590253 0.80 ESR1 (0.37) ESR1ESR2CA1CA2
SCHEMBL10883198 0.78 ESR1 (0.46) NPC1RAB9AMAPTESR1ESR2
SCHEMBL9057542 0.78 CA1 (0.38) ESR1ESR2KCNH2POLBCA1
SCHEMBL1204683 0.78 TSHR (0.48) LMNAKCNH2POLBCA1CA2
SCHEMBL11762800 0.78 CNR2 (0.53) CNR2
SCHEMBL4447195 0.77 NPC1 (0.46) NPC1RAB9AMAPTESR1ESR2
SCHEMBL21633775 0.77 NPC1 (0.46) NPC1RAB9AMAPTESR1ESR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459618-A Novel galactosylated glycosaminoglycan and preparation method and application thereof 中国科学院昆明植物研究所 2024-08-09 CN disclosed
CN-118459619-A Galactosylated glycosaminoglycan, composition thereof, preparation method and application thereof 中国科学院昆明植物研究所 2024-08-09 CN disclosed
CN-112279749-B Synthetic method of 2-methyl-3- (4-tert-pentylphenyl) propanol 镇江卡博医药科技有限公司 2022-06-07 CN disclosed
CN-112279749-A Synthetic method of 2-methyl-3- (4-tert-pentylphenyl) propanol 镇江卡博医药科技有限公司 2021-01-29 CN disclosed
US-6942966-B1 libraries formed by permutations; combinatorial chemistry; drug screening ISIS PHARMACEUTICALS, INC. (US) 2005-09-13 US disclosed
EP-1073655-B1 PHARMACEUTICALLY AVAILABLE PROTOBERBERINE SALTS DERIVATIVES, AND PROTOBERBERINE DERIVATIVES AND SALTS THEREOF HANWHA CHEMICAL CORP (KR) 2004-04-14 EP disclosed
US-6559303-B1 Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical ISIS PHARMACEUTICALS, INC. 2003-05-06 US disclosed
US-6329523-B1 FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS ISIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6207826-B1 Macrocyclic compounds having nitrogen-containing linkages ISIS PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6197965-B1 POLYARYLALKYLAMINO-SUBSTITUED PYRIDINE DERIVATIVES; DRUGS, MEDICINE, DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2001-03-06 US disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
US-RE34770-E 1-benzothiophene derivatives; side effect reduction KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-11-01 US disclosed
US-5334628-A Amine derivatives, processes for preparing the same and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
US-5200423-A AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-04-06 US disclosed
US-5106866-A Skin disorders KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-04-21 US disclosed
US-5021458-A Amine derivatives and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed
EP-0164697-B1 AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1990-11-07 EP disclosed
CN-1007975-B Process for the preparation of amine derivatives KAKEN PHARMACEUFICAL CO LTD (JP) 1990-05-16 CN disclosed
CN-85104330-A Process for the preparation of amine derivatives and fungicides containing amine derivatives 1986-12-03 CN disclosed
EP-0164697-A2 Amine derivatives, processes for preparing the same and fungicides containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-12-18 EP disclosed