SCHEMBL10765736

SCHEMBL10765736

CCCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.46
CYP2C9 P11712 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.41
ESR2 Q92731 1/20 0.41
SPHK2 Q9NRA0 7/20 0.40

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
SCHEMBL10765742 1.00 SPHK1 (0.46) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL10765733 1.00 SPHK1 (0.46) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL10760219 0.98 CYP2C9 (0.46) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL10760215 0.98 CYP2C9 (0.46) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL10760223 0.98 CYP2C9 (0.46) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL10608297 0.95 SPHK1 (0.49) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL10766933 0.94 CYP2C9 (0.47) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL9344713 0.94 CYP2C9 (0.47) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL10766937 0.94 CYP2C9 (0.47) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL7723324 0.94 CYP2C9 (0.49) SPHK1CYP2C9MAPTALDH1A1LMNA

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-0094487-B1 HYDROTERPHENYLS, THEIR PREPARATION AND THEIR USE IN DIELECTRIC LIQUID CRYSTAL MATERIAL MERCK PATENT GmbH (DE) 1987-09-09 EP disclosed
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 US disclosed
EP-0094487-A1 Hydroterphenyls, their preparation and their use in dielectric liquid crystal material MERCK PATENT GmbH (DE) 1983-11-23 EP disclosed