SCHEMBL6682030

SCHEMBL6682030

NC(=O)C1CCC2(CCCO2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.36
MTOR P42345 2/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL12289214 0.89 KMT2A (0.34) KDM4EKMT2ACYP2D6MEN1HSD11B1
SCHEMBL31269742 0.85 GPR119 (0.36) KDM4EKMT2ACYP2D6HSD11B1MAPT
SCHEMBL583655 0.83 ALOX15 (0.44) OPRK1OPRM1OPRD1KDM4EKMT2A
SCHEMBL1933929 0.81 OPRK1 (0.34) OPRK1OPRM1OPRD1KDM4EKMT2A
SCHEMBL583582 0.78 LMNA (0.39) OPRK1OPRM1OPRD1KDM4EKMT2A
SCHEMBL8577511 0.77 OPRK1 (0.36) OPRK1OPRM1OPRD1KDM4EKMT2A
SCHEMBL31250290 0.77 KDM4E (0.31) KDM4EKMT2ACYP2D6MAPTATM
SCHEMBL30243980 0.76 KDM4E (0.33) KDM4EKMT2ACYP2D6HSD11B1MAPT
SCHEMBL19304 0.75 TSHR (0.38) OPRK1OPRM1OPRD1KDM4EKMT2A
SCHEMBL30148928 0.75 CYP2C19 (0.44) OPRK1OPRM1OPRD1KDM4EKMT2A

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-2004060212-A1 ANTI-INFLAMMATORY COATING FOR IMPLANTABLE MEDICAL DEVICES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-22 WO claimed