SCHEMBL9810508

SCHEMBL9810508

CCCCOC(=O)C1CCC(O)(c2ccc(CC)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
OPRL1 P41146 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 2/20 0.37
ESR1 P03372 1/20 0.37
CYP2D6 P10635 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL9810267 0.96 LMNA (0.40) L3MBTL1LMNANPC1TSHROPRL1
SCHEMBL9810345 0.95 PPARG (0.42) L3MBTL1LMNANPC1TSHRMAPK1
SCHEMBL9810335 0.95 PPARG (0.42) L3MBTL1LMNANPC1TSHRMAPK1
SCHEMBL9810450 0.95 PPARG (0.42) L3MBTL1LMNANPC1TSHRMAPK1
SCHEMBL9810568 0.92 LMNA (0.43) L3MBTL1LMNANPC1OPRL1OPRM1
SCHEMBL9810420 0.91 OPRL1 (0.45) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL9810669 0.91 OPRL1 (0.41) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL9810385 0.90 THRB (0.42) OPRL1ALDH1A1
SCHEMBL9810307 0.89 THRB (0.43) OPRL1
SCHEMBL9810482 0.89 THRB (0.43) OPRL1

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-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed