SCHEMBL9735757

SCHEMBL9735757

CCOC(=O)[C@@]1(c2ccc(Cl)cc2)O[C@H](C)[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
ABCB11 O95342 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCC1 P33527 1/20 0.42
OPRK1 P41145 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9195217 1.00 OPRM1 (0.47) OPRM1ABCB11LMNAMAPTMAPK1
SCHEMBL9201939 1.00 OPRM1 (0.47) OPRM1ABCB11LMNAMAPTMAPK1
SCHEMBL17267397 0.76 OPRM1 (0.47) OPRM1ABCB11LMNAMAPTMAPK1
SCHEMBL57715 0.73 OPRM1 (0.49) OPRM1MEN1KMT2AOPRK1SMN1; SMN2
SCHEMBL8950212 0.72 OPRM1 (0.50) OPRM1ABCB11LMNAMAPTMAPK1
SCHEMBL26792458 0.71 CACNA1D (0.45) OPRM1MEN1KMT2AABCC1OPRK1
SCHEMBL14967851 0.70 OPRM1 (0.44) OPRM1MAPTMEN1KMT2AABCC1
SCHEMBL24608752 0.69 OPRM1 (0.64) OPRM1MAPTMEN1KMT2AOPRK1
SCHEMBL27936152 0.69 OPRM1 (0.48) OPRM1OPRK1SMN1; SMN2TSHR
SCHEMBL5860380 0.69 OPRM1 (0.64) OPRM1MAPTMEN1KMT2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134152-A 1,2,4-Triazole compounds SANKYO COMPANY, LIMITED (JP) 1992-07-28 US disclosed
EP-0431968-A1 Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents Sankyo Company Limited (JP) 1991-06-12 EP disclosed