SCHEMBL7623271

SCHEMBL7623271

C=CCc1c(F)ccc(F)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
TNKS O95271 2/20 0.37
PARP1 P09874 1/20 0.37
XDH P47989 1/20 0.36
ERN1 O75460 1/20 0.36
AKR1B1 P15121 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH2 P05091 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL132738 0.84 GAA (0.35) GABRA1GABRB2TNKSPARP1XDH
SCHEMBL4222270 0.84 GABRA1 (0.35) GABRA1GABRB2TNKSPARP1XDH
SCHEMBL18191222 0.84 GABRA1 (0.35) GABRA1GABRB2TNKSPARP1XDH
SCHEMBL17843544 0.83 KIF11 (0.36) GABRA1GABRB2TNKSPARP1XDH
SCHEMBL28050473 0.81 SRD5A1 (0.45) GABRA1GABRB2TNKSPARP1XDH
SCHEMBL31467839 0.80 TRPV4 (0.33) GABRA1GABRB2TNKSPARP1XDH
SCHEMBL3882438 0.77 GPR35 (0.42) GABRA1GABRB2XDHERN1ALDH1A1
SCHEMBL4926856 0.75 GABRA1 (0.41) GABRA1GABRB2TNKSPARP1XDH
SCHEMBL22025524 0.75 TNKS (0.35) GABRA1GABRB2TNKSPARP1XDH
SCHEMBL9221316 0.75 TAAR1 (0.39) GABRA1GABRB2XDHALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0889032-A1 FUSED-RING CARBOXYLIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed