SCHEMBL5082899

SCHEMBL5082899

CC(CC(=O)O)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
POLB P06746 1/20 0.54
SCN1A P35498 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
TSHR P16473 3/20 0.53
TP53 P04637 1/20 0.53
NPC1 O15118 2/20 0.52
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
F2 P00734 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44

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
Phenol SCHEMBL28544579 0.93 CA12 (0.50) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL15869129 0.87 LMNA (0.52) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL1068955 0.85 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL14690004 0.85 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL1073212 0.85 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL560828 0.85 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL1784136 0.85 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL29302944 0.84 LMNA (0.54) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL11144462 0.84 LMNA (0.50) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL5082911 0.84 LMNA (0.54) LMNACYP1A2CYP2D6POLBSCN1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020213714-A1 METHOD FOR PRODUCING CIS-(-)-FLUOCINO PIPERIDOL 大日本住友製薬株式会社 2020-10-22 WO disclosed
EP-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed
US-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed