SCHEMBL9722365

SCHEMBL9722365

CCCc1c(O)ccc2c1C(C)(C)C(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
TRPA1 O75762 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
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL1760417 0.70 CNR1 (0.50) CNR1CNR2TRPA1
SCHEMBL30027246 0.70 CNR1 (0.50) CNR1CNR2TRPA1
SCHEMBL69199 0.66 HPGD (0.41) CNR1CNR2ALOX15
SCHEMBL9722386 0.65 HMGCR (0.41) CYP1A2CNR1CNR2TRPA1TRPV1
SCHEMBL6573311 0.64 CNR1 (0.41) CNR1CNR2ESR1ESR2ALOX15
SCHEMBL15255041 0.63 CNR1 (0.43) CNR1CNR2ESR1
SCHEMBL7597643 0.62 TP53 (0.37) TP53CYP1A2CNR1CNR2
SCHEMBL23387417 0.61 NOS2 (0.42) CYP1A2CNR1CNR2ESR1ESR2
SCHEMBL6235059 0.61 CNR1 (0.42) TP53CYP1A2CNR1CNR2
SCHEMBL981537 0.61 PRKCI (0.48) TP53CNR1CNR2ALOX15

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-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed