SCHEMBL31528041

SCHEMBL31528041

CCCc1cc(O)c(-c2c(C)ccc3c2CC(=O)N3CCF)c(O)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
TRPA1 O75762 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
DRD2 P14416 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
SCHEMBL31528283 0.92 HTT (0.36) ALDH1A1HTTTRPA1CNR1CNR2
SCHEMBL31527976 0.89 ALDH1A1 (0.36) ALDH1A1HTTTRPA1CNR1CNR2
SCHEMBL31528048 0.87 NOS3 (0.33) ALDH1A1HTTDRD2
SCHEMBL31528034 0.86 RXRA (0.35) ALDH1A1HTTTRPA1CNR1CNR2
SCHEMBL31528133 0.85 HTT (0.37) ALDH1A1HTTTRPA1CNR1CNR2
SCHEMBL31528026 0.82 HTT (0.40) ALDH1A1HTTTRPA1CNR1CNR2
SCHEMBL31528070 0.81 HTT (0.40) ALDH1A1HTTTRPA1CNR1CNR2
SCHEMBL31528185 0.80 ALDH1A1 (0.35) ALDH1A1HTTTRPA1CNR1CNR2
SCHEMBL31528013 0.79 ATAD2 (0.36) ALDH1A1TRPA1
SCHEMBL31528091 0.79 BRD4 (0.33) ALDH1A1HTTTRPA1CNR1CNR2

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