SCHEMBL11792827

SCHEMBL11792827

CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(C)CS1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.36
▸ CNR1 P21554 8/20 0.36
▸ KDR P35968 1/20 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
SCHEMBL11795779 0.91 CNR2 (0.36) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11792840 0.82 CNR2 (0.45) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL31545721 0.82 CNR2 (0.46) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11757943 0.82 CNR2 (0.46) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11794288 0.81 CNR2 (0.41) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11739031 0.80 CNR2 (0.41) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11775561 0.80 CNR2 (0.37) CNR2CNR1KDRTRPA1CYP1A1
SCHEMBL11740560 0.80 CNR2 (0.43) CNR2CNR1KDR
SCHEMBL31545894 0.80 CNR2 (0.43) CNR2CNR1KDR
SCHEMBL11799600 0.79 CNR2 (0.37) CNR2CNR1KDRTRPA1CYP1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3946111-A ANALYGESICS SHARPS ASSOCIATES (US) 1976-03-23 — — US claimed
US-3972880-A TRANQUILIZER SHARPS ASSOCIATES (US) 1976-08-03 — — US disclosed
US-3960871-A ANTIDEPRESSANT, ANALGESICS, ANTICONVULSANT ANTI-ANXIETY ACTIVITY SHARPS ASSOCIATES (US) 1976-06-01 — — US disclosed
US-3946111-A ANALYGESICS SHARPS ASSOCIATES (US) 1976-03-23 — — US disclosed
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