SCHEMBL7622984

SCHEMBL7622984

Cc1ccc(C)c2cc(C=O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.46
ALDH1A1 P00352 8/20 0.43
ALDH1A3 P47895 2/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
PTGS2 P35354 1/20 0.41
KIF11 P52732 2/20 0.41
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTK2B Q14289 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER4 P35408 1/20 0.39
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.38

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
SCHEMBL3121559 0.83 GPR55 (0.41) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL17341755 0.83 KIF11 (0.46) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL28880208 0.79 CYP2A6 (0.40) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL7726893 0.79 CYP2A6 (0.48) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL29350085 0.78 CYP2A6 (0.52) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL98097 0.78 CYP2A6 (0.52) CYP2A6ALDH1A1ALDH1A3TSHRKDM4E
SCHEMBL28603336 0.77 TDP1 (0.45) CYP2A6ALDH1A1TSHRHPGDCYP1A2
SCHEMBL3257311 0.75 CYP2A6 (0.57) CYP2A6ALDH1A1ALDH1A3TSHRRAB9A
SCHEMBL29957704 0.75 CYP2A6 (0.57) CYP2A6ALDH1A1ALDH1A3TSHRRAB9A
SCHEMBL9670965 0.75 CYP1A2 (0.57) CYP2A6ALDH1A1ALDH1A3TSHRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1255396-C Carboxylic acid derivatives containing fused rings EISAI CO LTD (JP) 2006-05-10 CN disclosed
CN-1211361-C Carboxylic acid derivatives containing fused rings EISAI CO LTD (JP) 2005-07-20 CN disclosed
CN-1548428-A Carboxylic acid derivatives containing fused rings ������������ʽ���� 2004-11-24 CN disclosed
US-6358995-B1 AGONIST FOR RETINOIC ACID RECEPTORS; CAN BE SUBSTITUTED FOR RETINOIC ACID AS PREVENTIVE AND THERAPEUTIC DRUGS FOR VARIOUS DISEASES OR CANCERS, SUCH AS ACUTE PROMYELOCYTIC LEUKEMIA. EISAI CO., LTD. (JP) 2002-03-19 US disclosed
US-6355669-B1 THERAPY FOR KIDNEY DISEASE USING BENZOIC ACID COMPOUND EISAI CO., LTD. (JP) 2002-03-12 US disclosed
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US disclosed
US-6121309-A SUCH AS 4-(2-(5-(7-FLUORO-4-TRIFLUOROMETHYLBENZOFURAN-2-YL)PYRROLYL)) BENZOIC ACID; RETINOIC ACID RECEPTOR AGONISM EISAI CO., LTD. (JP) 2000-09-19 US disclosed
US-6110959-A A RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2000-08-29 US disclosed
EP-1025857-A1 RETINOIC ACID AGONISTS AS PREVENTIVE AND THERAPEUTIC AGENTS FOR NEPHRITIS Eisai Co., Ltd. (JP) 2000-08-09 EP disclosed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP disclosed
CN-1214042-A Carboxylic acid derivatives containing fused rings EISAI CO LTD (JP) 1999-04-14 CN disclosed
EP-0889032-A1 FUSED-RING CARBOXYLIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed