SCHEMBL9810458

SCHEMBL9810458

CCCCc1ccc(C2(O)CCC(C(=O)OCC)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.46
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9810489 0.96 THRA (0.43) OPRL1KDM4EMEN1KMT2ALMNA
SCHEMBL9810431 0.95 THRA (0.44) OPRL1KDM4EMEN1KMT2ALMNA
SCHEMBL9810356 0.95 THRA (0.44) OPRL1KDM4EMEN1KMT2ALMNA
SCHEMBL9810309 0.95 THRA (0.44) OPRL1KDM4EMEN1KMT2ALMNA
SCHEMBL9810389 0.92 OPRM1 (0.43) OPRL1KDM4EMEN1KMT2ALMNA
SCHEMBL9810420 0.91 OPRL1 (0.45) OPRL1MEN1KMT2AALDH1A1POLB
SCHEMBL9810349 0.91 OPRL1 (0.45) OPRL1ALDH1A1POLBHPGDHSD17B10
SCHEMBL9810615 0.90 OPRL1 (0.44) OPRL1ALDH1A1HPGDHSD17B10
SCHEMBL9810279 0.89 OPRL1 (0.43) OPRL1
SCHEMBL9810512 0.89 OPRL1 (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