SCHEMBL11797548

SCHEMBL11797548

CCCCCC(C)CCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2CCS1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.49
▸ CNR1 P21554 7/20 0.49
▸ ACE2 Q9BYF1 1/20 0.35
▸ LTA4H P09960 1/20 0.33
▸ OPRM1 P35372 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP2J2 P51589 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ TRPV2 Q9Y5S1 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
SCHEMBL11790286 0.92 CNR2 (0.41) CNR2CNR1OPRM1TRPA1CYP1A1
SCHEMBL11791816 0.91 CNR2 (0.40) CNR2CNR1OPRM1TRPA1CYP1A1
SCHEMBL11788020 0.91 CNR2 (0.40) CNR2CNR1OPRM1TRPA1CYP1A1
SCHEMBL11796300 0.88 CNR2 (0.37) CNR2CNR1
Hydrochloric Acid SCHEMBL11790020 0.87 CNR2 (0.38) CNR2CNR1
SCHEMBL11874764 0.86 CNR2 (0.37) CNR2CNR1
SCHEMBL11796076 0.85 CNR2 (0.37) CNR2CNR1
Hydrochloric Acid SCHEMBL11741397 0.85 CNR2 (0.37) CNR2CNR1
Hydrochloric Acid SCHEMBL11733906 0.85 CNR2 (0.36) CNR2CNR1
SCHEMBL11739040 0.85 CNR2 (0.51) CNR2CNR1OPRM1TRPA1CYP1A1

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-3940421-A Intermediates for the preparation of thienobenzopyrans and thiopyranobenzopyrans ARTHUR D. LITTLE, INC. (US) 1976-02-24 — — US disclosed
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