SCHEMBL8727494

SCHEMBL8727494

CCCCCc1cc(O)c2c(c1)OC(C)(C)C(CC[C]=O)=C2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.55
CNR1 P21554 15/20 0.55
TRPA1 O75762 3/20 0.55
TRPV1 Q8NER1 3/20 0.55
TRPV3 Q8NET8 3/20 0.55
TRPV4 Q9HBA0 3/20 0.55
TRPV2 Q9Y5S1 3/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2B6 P20813 1/20 0.55
HTR2A P28223 1/20 0.55
OPRM1 P35372 1/20 0.55
CYP2J2 P51589 1/20 0.55
CYP1B1 Q16678 1/20 0.55
ABHD12 Q8N2K0 3/20 0.39
ABHD6 Q9BV23 3/20 0.39
FAAH O00519 2/20 0.39

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
SCHEMBL8119698 0.85 CNR2 (0.59) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL8118114 0.84 CNR2 (0.55) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL8113277 0.76 CNR2 (0.47) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL21974550 0.73 CNR2 (0.51) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL24335024 0.72 CNR2 (0.77) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL31545831 0.72 CNR2 (0.73) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL30248210 0.72 CNR2 (0.73) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL18407405 0.71 CNR2 (0.83) CNR2CNR1TRPA1TRPV1TRPV3
Cannabinol SCHEMBL23460333 0.71 CNR2 (1.00) CNR2CNR1TRPA1TRPV1TRPV3
Cannabinol SCHEMBL121085 0.71 CNR2 (1.00) CNR2CNR1TRPA1TRPV1TRPV3

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
US-5817766-A CONTAINING A BENZPYRAN COMPOUND ROCHE DIAGNOSTIC SYSTEMS, INC. (US) 1998-10-06 US disclosed