SCHEMBL7777433

SCHEMBL7777433

CC(=O)CC1C=C(C)CCC1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.39
OPRM1 P35372 2/20 0.39
PTPN1 P18031 2/20 0.35
HIF1A Q16665 3/20 0.32
EPAS1 Q99814 1/20 0.32
CNR1 P21554 1/20 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
SCHEMBL9951165 0.84 ACE2 (0.37) ACE2OPRM1PTPN1HIF1AEPAS1
SCHEMBL11303614 0.80 OPRM1 (0.42) ACE2OPRM1PTPN1HIF1AEPAS1
SCHEMBL21834436 0.79 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL21889564 0.79 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL21889565 0.79 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL14279103 0.76 ACE2 (0.35) ACE2OPRM1PTPN1HIF1AEPAS1
SCHEMBL31125988 0.74 CNR2 (0.46) OPRM1CNR1
SCHEMBL7126607 0.72 PTPN1 (0.38) ACE2OPRM1PTPN1EPAS1CNR1
SCHEMBL1172762 0.72 PTPN1 (0.38) ACE2OPRM1PTPN1EPAS1CNR1
SCHEMBL31005385 0.70 HIF1A (0.45) ACE2OPRM1PTPN1HIF1AEPAS1

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
JP-2001302475-A COMPOSITION FOR ORAL CAVITY LION CORP 2001-10-31 JP disclosed