SCHEMBL7724982

SCHEMBL7724982

CCCOc1cc(F)c(CC)c2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)oc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
TTR P02766 2/20 0.35
RARB P10826 10/20 0.34
RARG P13631 8/20 0.34
RARA P10276 7/20 0.34
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
MPL P40238 1/20 0.33
ALB P02768 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL7730548 0.86 RARA (0.39) TTRRARBRARGRARAMPL
SCHEMBL7730174 0.84 RARA (0.43) RARBRARGRARA
SCHEMBL7616861 0.84 RARA (0.43) RARBRARGRARA
SCHEMBL7730357 0.82 RARA (0.39) RARBRARGRARAKDM4EALDH1A1
SCHEMBL7720449 0.79 RARA (0.42) RARBRARGRARAMPLKDM4E
SCHEMBL7720372 0.78 RARA (0.39) TTRRARBRARGRARAMPL
SCHEMBL7724028 0.75 RARA (0.41) RARBRARGRARAKDM4EALDH1A1
SCHEMBL7625794 0.74 RARA (0.43) RARBRARGRARAKDM4EALDH1A1
SCHEMBL7618694 0.74 RARA (0.49) TTRRARBRARGRARAKDM4E
SCHEMBL7619612 0.74 RARA (0.40) RARBRARGRARAMPL

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 4 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-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-0889032-A1 FUSED-RING CARBOXYLIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed