SCHEMBL10909533

SCHEMBL10909533

CCCC1CCC(OC(=O)c2ccc([C@H]3CC[C@H]([C@H]4CC[C@H](CCC)CC4)CC3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
MAPT P10636 3/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 2/20 0.41
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ESR2 Q92731 1/20 0.38
PTPRF P10586 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
NAAA Q02083 1/20 0.36
SERPINE1 P05121 1/20 0.36

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
SCHEMBL10909542 1.00 CYP2C9 (0.61) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10909530 1.00 CYP2C9 (0.61) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL14300378 1.00 CYP2C9 (0.61) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10902598 1.00 CYP2C9 (0.61) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10909538 1.00 CYP2C9 (0.61) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9649144 0.96 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9649129 0.96 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL9649132 0.96 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10911787 0.95 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10911800 0.95 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 US disclosed