SCHEMBL14636362

SCHEMBL14636362

COC(=O)C1COCCC12OCC(C)(C)CO2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.32
OPRM1 P35372 2/20 0.32
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20303735 0.87 OPRK1 (0.32) OPRK1OPRM1LMNAATML3MBTL1
SCHEMBL1564313 0.71 ALDH1A1 (0.35) LMNARAB9ASMN1; SMN2
SCHEMBL14636380 0.68
SCHEMBL14635669 0.68
SCHEMBL25940926 0.67 ATM (0.32) ATML3MBTL1
SCHEMBL20303774 0.66
SCHEMBL20221265 0.66 HRH3 (0.35) ATML3MBTL1
SCHEMBL711832 0.66 ATM (0.34) OPRK1LMNAATML3MBTL1SMN1; SMN2
SCHEMBL14635529 0.65
SCHEMBL9610 0.65 ATM (0.33) OPRK1LMNAATML3MBTL1SMN1; SMN2

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
WO-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed