SCHEMBL11775561

SCHEMBL11775561

CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(C)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.37
▸ CNR1 P21554 5/20 0.37
▸ KDR P35968 1/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ 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
▸ OPRM1 P35372 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
SCHEMBL11771583 0.91 CNR2 (0.37) CNR2CNR1KDRPTPN1TRPA1
SCHEMBL11742528 0.86 CNR2 (0.44) CNR2CNR1KDRPTPN1TRPA1
SCHEMBL11773920 0.86 CNR1 (0.36) CNR2CNR1
SCHEMBL11773048 0.86 CNR2 (0.41) CNR2CNR1KDRPTPN1TRPA1
SCHEMBL11777798 0.82 CNR2 (0.39) CNR2CNR1KDRPTPN1TRPA1
SCHEMBL11757943 0.81 CNR2 (0.46) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL31545721 0.81 CNR2 (0.46) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11743076 0.80 CNR2 (0.38) CNR2CNR1KDRPTPN1TRPA1
SCHEMBL11792827 0.80 CNR2 (0.36) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11740560 0.79 CNR2 (0.43) CNR2CNR1KDR

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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