SCHEMBL11279306

SCHEMBL11279306

CCCCCCCCCCCCc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.68
SPHK2 Q9NRA0 7/20 0.59
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RARB P10826 4/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL11279125 1.00 SPHK1 (0.68) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL11280388 1.00 SPHK1 (0.68) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL11276703 1.00 SPHK1 (0.68) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL11286348 1.00 SPHK1 (0.68) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL11301398 1.00 SPHK1 (0.68) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL11277099 1.00 SPHK1 (0.68) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL11274401 0.98 SPHK1 (0.66) SPHK1SPHK2TSHRHSD17B10RARB
SCHEMBL11279096 0.94 SPHK1 (0.59) SPHK1SPHK2RARB
SCHEMBL11161799 0.94 SPHK1 (0.72) SPHK1SPHK2HSD17B10ALDH1A1
SCHEMBL11161806 0.94 SPHK1 (0.72) SPHK1SPHK2HSD17B10ALDH1A1

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
EP-0022183-B1 DERIVATIVES OF CYCLOHEXYLBIPHENYL, PROCESS FOR THEIR PREPARATION, DIELECTRICS CONTAINING THEM, AND ELECTRON OPTICAL INDICATING ELEMENTS MERCK PATENT GmbH (DE) 1982-06-23 EP disclosed
US-4330426-A Cyclohexylbiphenyls, their preparation and use in dielectrics and electrooptical display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-18 US disclosed
EP-0022183-A2 Derivatives of cyclohexylbiphenyl, process for their preparation, dielectrics containing them, and electron optical indicating elements MERCK PATENT GmbH (DE) 1981-01-14 EP disclosed