SCHEMBL11791833

SCHEMBL11791833

CCCCCCC1(CCCCCC)Oc2cc(CCC(C)CCCCC)cc(O)c2C2=C1SCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.44
▸ CNR1 P21554 11/20 0.40
▸ OPRM1 P35372 5/20 0.35
▸ TRPA1 O75762 3/20 0.35
▸ TRPV1 Q8NER1 3/20 0.35
▸ TRPV3 Q8NET8 3/20 0.35
▸ TRPV4 Q9HBA0 3/20 0.35
▸ TRPV2 Q9Y5S1 3/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ CYP2J2 P51589 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ LDHA P00338 2/20 0.32
▸ TRPM8 Q7Z2W7 2/20 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
SCHEMBL11739040 0.88 CNR2 (0.51) CNR2CNR1OPRM1TRPA1TRPV1
SCHEMBL11740634 0.83 CNR2 (0.46) CNR2CNR1OPRM1TRPA1TRPV1
SCHEMBL11739017 0.83 PTPN1 (0.39) CNR2CNR1OPRM1TRPA1TRPV1
SCHEMBL11734351 0.82 CNR2 (0.49) CNR2CNR1OPRM1TRPA1TRPV1
SCHEMBL11791819 0.82 PTPN1 (0.35) CNR2CNR1PTPN1
SCHEMBL11734846 0.77 CNR2 (0.63) CNR2CNR1OPRM1TRPA1TRPV1
SCHEMBL11738826 0.77 CNR2 (0.63) CNR2CNR1OPRM1TRPA1TRPV1
SCHEMBL11740626 0.77 CNR2 (0.35) CNR2CNR1PTPN1
SCHEMBL11791779 0.77 CNR2 (0.55) CNR2CNR1OPRM1TRPA1TRPV1
SCHEMBL11741318 0.76 CNR2 (0.62) CNR2CNR1OPRM1TRPA1TRPV1

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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