SCHEMBL8396285

SCHEMBL8396285

C=C1CC(CCC)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2A Q92830 3/20 0.39
SIRT2 Q8IXJ6 3/20 0.38
CYP1A2 P05177 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
MAOA P21397 1/20 0.32
POLB P06746 1/20 0.32
FASN P49327 1/20 0.32
AKT1 P31749 2/20 0.31

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
SCHEMBL8394086 0.89 CYP1A2 (0.42) SIRT2CYP1A2PTPN1CDC25BPOLB
SCHEMBL7153568 0.87 CYP1A2 (0.49) SIRT2CYP1A2POLBFASN
SCHEMBL18979113 0.85 CYP1A2 (0.51) SIRT2CYP1A2PTPN1CDC25BPOLB
SCHEMBL8394045 0.85 CYP1A2 (0.51) SIRT2CYP1A2PTPN1CDC25BPOLB
SCHEMBL4339845 0.85 CYP1A2 (0.51) SIRT2CYP1A2PTPN1CDC25BPOLB
SCHEMBL18981127 0.85 CYP1A2 (0.51) SIRT2CYP1A2PTPN1CDC25BPOLB
SCHEMBL8398786 0.85 CYP1A2 (0.51) SIRT2CYP1A2PTPN1CDC25BPOLB
SCHEMBL311577 0.83
SCHEMBL19294798 0.80 OPRM1 (0.30) OPRM1OPRD1OPRK1
SCHEMBL19294797 0.79 CYP3A4 (0.34) OPRM1OPRD1OPRK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722960-B1 Copolymers for preparing cast glass, or molding materials for preparing heat stable shaped articles AGOMER GES MIT BESCHRAENKTER H (DE) 1999-06-02 EP disclosed
US-5880235-A POLYMER PREPARED BY COPOLYMERIZING ALPHA-METHYLENE-GAMMA-BUTYROLACTONE AND VINYLICALLY UNSATURATED MONOMER AGOMER GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-09 US disclosed
EP-0722960-A2 Copolymers for preparing cast glass, or molding materials for preparing heat stable shaped articles Degussa Aktiengesellschaft (DE) 1996-07-24 EP disclosed