SCHEMBL7724009

SCHEMBL7724009

O=C(O)c1ccc(-c2ccc(-c3cc4ccc(Cl)c(Cl)c4o3)[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.44
RARB P10826 9/20 0.44
RARG P13631 9/20 0.44
CHEK2 O96017 1/20 0.38
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
TSHR P16473 1/20 0.36
SRD5A2 P31213 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL7625464 0.85 RARA (0.44) RARARARBRARGCASP3SENP8
SCHEMBL7620397 0.84 RARA (0.42) RARARARBRARGCHEK2CSNK2A2
SCHEMBL7622996 0.83 CSNK2A2 (0.46) RARARARBRARGCHEK2RXRA
SCHEMBL7625435 0.83 RARA (0.44) RARARARBRARGCSNK2A2CSNK2B
SCHEMBL7616809 0.82 RARA (0.60) RARARARBRARGCSNK2A2CSNK2B
SCHEMBL7622962 0.81 RARA (0.42) RARARARBRARGRXRARXRB
SCHEMBL7626495 0.81 RARA (0.44) RARARARBRARGCASP3SENP8
SCHEMBL7623083 0.79 RARA (0.63) RARARARBRARG
SCHEMBL7619645 0.79 RARA (0.63) RARARARBRARG
SCHEMBL7624774 0.79 RARA (0.43) RARARARBRARGCHEK2RXRA

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 5 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-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US disclosed
US-6110959-A A RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2000-08-29 US 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