SCHEMBL31528074

SCHEMBL31528074

CCCc1cc(O)c(-c2cccc3c2CC(=O)N3CC)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
MPI P34949 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
MDH2 P40926 5/20 0.33
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TRPV2 Q9Y5S1 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL31528136 0.93 GSK3B (0.39) GSK3BDRD2ALDH1A1HPGDCASP1
SCHEMBL31528088 0.92 GSK3B (0.39) GSK3BDRD2ALDH1A1SMN1; SMN2CNR1
SCHEMBL31528204 0.88 RXRA (0.34) GSK3BDRD2CNR1CNR2ELANE
SCHEMBL31528110 0.87 CCNB2 (0.36) GSK3BALDH1A1CASP1CNR1CNR2
SCHEMBL31528095 0.83 OPRL1 (0.38) DRD2CNR1CNR2ELANECTSG
SCHEMBL31527976 0.81 ALDH1A1 (0.36) GSK3BALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL31528008 0.80 NPC1 (0.38) GSK3BALDH1A1HPGDCNR1CNR2
SCHEMBL31528091 0.80 BRD4 (0.33) GSK3BALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL31527979 0.80 CNR2 (0.34) ALDH1A1CNR1CNR2MDH2TRPA1
SCHEMBL31528188 0.80 CNR2 (0.33) ALDH1A1HPGDCNR1CNR2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025078811-A1 CANNABINOID COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2025-04-17 WO claimed
WO-2025078811-A1 CANNABINOID COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2025-04-17 WO disclosed