SCHEMBL7623243

SCHEMBL7623243

C=CCOc1cc(F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR2C P28335 10/20 0.48
HTR2A P28223 5/20 0.48
HTR2B P41595 7/20 0.42
ADRB2 P07550 2/20 0.42
HTR1A P08908 2/20 0.42
CHRM5 P08912 2/20 0.42
ADRA2A P08913 2/20 0.42
DRD2 P14416 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
DRD4 P21917 2/20 0.42
HRH2 P25021 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR7 P34969 2/20 0.42
DRD3 P35462 2/20 0.42
HTR6 P50406 2/20 0.42
KCNH2 Q12809 2/20 0.42
TSHR P16473 3/20 0.41

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
SCHEMBL17848515 0.83 MAPT (0.48) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL27726597 0.83 HTR2C (0.41) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL18191246 0.81 MAPT (0.47) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL21728215 0.81 MAPT (0.47) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL3972054 0.81 GAA (0.43) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL7711833 0.81 MAPT (0.47) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL324631 0.81 MAPT (0.47) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL140613 0.81 HTR2C (0.43) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL3885806 0.81 HTR2C (0.49) MAPTL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL2555360 0.81 CTSS (0.53) HPGDPOLBALDH1A1

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