SCHEMBL9486609

SCHEMBL9486609

CCCCCCCC[C@H]1CC[C@H](COc2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.40
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RARA P10276 2/20 0.35
RARG P13631 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 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
SCHEMBL9487094 1.00 RARB (0.40) RARBHSD17B10TSHRFAAHMEN1
SCHEMBL9487100 1.00 RARB (0.40) RARBHSD17B10TSHRFAAHMEN1
SCHEMBL9486595 1.00 RARB (0.40) RARBHSD17B10TSHRFAAHMEN1
SCHEMBL9406010 0.99 RARB (0.38) RARBHSD17B10TSHRFAAHMEN1
SCHEMBL9406006 0.99 RARB (0.38) RARBHSD17B10TSHRFAAHMEN1
SCHEMBL9486156 0.96 RARB (0.40) RARBHSD17B10TSHRFAAHMEN1
SCHEMBL9486160 0.96 RARB (0.40) RARBHSD17B10TSHRFAAHMEN1
SCHEMBL3268312 0.94 FFAR4 (0.35) RARBFFAR4S1PR1S1PR3
SCHEMBL3268307 0.94 FFAR4 (0.35) RARBFFAR4S1PR1S1PR3
SCHEMBL12994103 0.94 FFAR4 (0.35) RARBHSD17B10TSHRFFAR4S1PR1

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
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 EP disclosed
US-5204019-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0362318-A1 2,3-DIFLUOROBIPHENYLS. MERCK PATENT GMBH (DE) 1990-04-11 EP disclosed
WO-1989008687-A1 2,3-DIFLUOROBIPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed