SCHEMBL11736907

SCHEMBL11736907

CC1CC(=O)C2=C(C1)c1c(O)cc(CCCC3CCCC3)cc1OC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.52
▸ CNR1 P21554 9/20 0.52
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TRPV1 Q8NER1 5/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ TRPV3 Q8NET8 2/20 0.36
▸ TRPV4 Q9HBA0 2/20 0.36
▸ TRPV2 Q9Y5S1 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CYP2J2 P51589 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36

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
SCHEMBL11738376 0.86 CNR2 (0.67) CNR2CNR1TRPV1TRPA1TRPV3
SCHEMBL11741078 0.82 CNR2 (0.76) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11737880 0.81 CNR1 (0.36) CNR2CNR1MEN1KMT2ACYP1A2
SCHEMBL11759992 0.79 CNR2 (0.59) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11745993 0.77 CNR2 (0.61) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11743164 0.72 — —
SCHEMBL11744699 0.72 CNR2 (0.56) CNR2CNR1TRPV1TRPA1TRPV3
SCHEMBL11733885 0.72 CNR2 (0.58) CNR2CNR1MEN1KMT2ATRPV1
SCHEMBL11757291 0.71 CNR2 (0.82) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11736560 0.71 CNR2 (0.52) CNR2CNR1MEN1GAAKMT2A

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-4051152-A TRANQUILIZERS, ANALGESICS SHARPS ASSOCIATES (US) 1977-09-27 — — US disclosed
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