SCHEMBL7620448

SCHEMBL7620448

C=C(C)c1cc(Cl)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.39
RARB P10826 11/20 0.39
RARG P13631 11/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NQO2 P16083 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 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
SCHEMBL7622962 0.85 RARA (0.42) RARARARBRARGESR1ESR2
SCHEMBL7625435 0.85 RARA (0.44) RARARARBRARGESR1ESR2
SCHEMBL7622996 0.85 CSNK2A2 (0.46) RARARARBRARGESR1ESR2
SCHEMBL7622666 0.84 RARA (0.38) RARARARBRARGESR1ESR2
SCHEMBL7942409 0.83 RARA (0.42) RARARARBRARGESR1ESR2
SCHEMBL7621362 0.83 RXRA (0.44) RARARARBRARGESR1ESR2
SCHEMBL7626515 0.83 RXRA (0.44) RARARARBRARGCSNK2A2CSNK2A1
SCHEMBL7625464 0.81 RARA (0.44) RARARARBRARGNQO2
SCHEMBL7623086 0.80 RARA (0.39) RARARARBRARGESR1ESR2
SCHEMBL7624774 0.79 RARA (0.43) RARARARBRARGESR1ESR2

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 7 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-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