SCHEMBL7622666

SCHEMBL7622666

C=C(C)c1cc(Cl)cc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)oc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.38
RARB P10826 8/20 0.38
RARG P13631 8/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ERAP1 Q9NZ08 5/20 0.35
NQO2 P16083 1/20 0.34
CHEK2 O96017 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
PTGER1 P34995 1/20 0.33

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
SCHEMBL7623086 0.88 RARA (0.39) RARARARBRARGRXRARXRB
SCHEMBL7624774 0.84 RARA (0.43) RARARARBRARGRXRARXRB
SCHEMBL7622996 0.84 CSNK2A2 (0.46) RARARARBRARGRXRARXRB
SCHEMBL7620448 0.84 RARA (0.39) RARARARBRARGESR1ESR2
SCHEMBL7628029 0.83 RARA (0.45) RARARARBRARGRXRARXRB
SCHEMBL7624545 0.83 PTGER1 (0.45) RARARARBRARGRXRARXRB
SCHEMBL7628727 0.82 RXRA (0.40) RARARARBRARGRXRARXRB
SCHEMBL7625627 0.80 PTGER1 (0.41) RARARARBRARGRXRARXRB
SCHEMBL7948755 0.79 MAOA (0.39) RARARARBRARGRXRARXRB
SCHEMBL7622962 0.78 RARA (0.42) RARARARBRARGRXRARXRB

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 6 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-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-0889032-A1 FUSED-RING CARBOXYLIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed