SCHEMBL7900565

SCHEMBL7900565

CCC[C@H]1CC[C@H](CCc2ccc(C(=O)O)c(-c3ccc(F)c(F)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.46
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
LTB4R2 Q9NPC1 4/20 0.40
BRS3 P32247 2/20 0.39
LTB4R Q15722 2/20 0.39
TBK1 Q9UHD2 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MCL1 Q07820 2/20 0.36
PPARA Q07869 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
FFAR4 Q5NUL3 2/20 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
SCHEMBL7736443 0.85 RARB (0.63) RARBRARARARGBRS3MCL1
SCHEMBL7736436 0.85 RARB (0.63) RARBRARARARGBRS3MCL1
SCHEMBL5069052 0.84 RARB (0.48) RARBRARARARGTBK1PPARA
SCHEMBL5069060 0.84 RARB (0.48) RARBRARARARGTBK1PPARA
SCHEMBL8771431 0.82 SLC6A2 (0.36) RARB
SCHEMBL8771425 0.82 SLC6A2 (0.36) RARB
SCHEMBL9060365 0.81 SYK (0.41) RARBRARARARGLTB4R2BRS3
SCHEMBL10345134 0.81 RARB (0.45) RARBRARARARGTBK1PPARA
SCHEMBL10345130 0.81 RARB (0.45) RARBRARARARGTBK1PPARA
SCHEMBL10345131 0.81 RARB (0.45) RARBRARARARGTBK1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed