SCHEMBL9810568

SCHEMBL9810568

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
HSD11B1 P28845 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
SCHEMBL9810508 0.92 L3MBTL1 (0.41) LMNAL3MBTL1NPC1OPRM1OPRD1
SCHEMBL9810267 0.91 LMNA (0.40) LMNAL3MBTL1NPC1OPRM1OPRD1
SCHEMBL9810386 0.91 OPRL1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9810345 0.90 PPARG (0.42) LMNAL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL9810335 0.90 PPARG (0.42) LMNAL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL9810450 0.90 PPARG (0.42) LMNAL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL9810410 0.89 LMNA (0.53) LMNAL3MBTL1NPC1OPRM1OPRD1
SCHEMBL9810349 0.89 OPRL1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL9810360 0.88 ALDH1A1 (0.42) LMNAOPRM1ALDH1A1
SCHEMBL9810555 0.88 THRA (0.42) OPRL1ALDH1A1

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