SCHEMBL31528091

SCHEMBL31528091

CCCc1cc(O)c(-c2c(F)ccc3c2CC(=O)N3CC)c(O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
ATAD2 Q6PL18 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPC1 O15118 3/20 0.32
CNR2 P34972 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
PARK7 Q99497 1/20 0.31
CNR1 P21554 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31527976 0.87 ALDH1A1 (0.36) BRD4ALDH1A1RAB9AHPGDATAD2
SCHEMBL31528056 0.85 HTR2A (0.34) BRD4ATAD2HDAC1HDAC8HDAC6
SCHEMBL31528270 0.85 ALDH1A1 (0.33) ALDH1A1GSK3BHTT
SCHEMBL31528188 0.81 CNR2 (0.33) ALDH1A1RAB9AHPGDMAPTCNR2
SCHEMBL31528026 0.81 HTT (0.40) BRD4ALDH1A1RAB9AHPGDMAPT
SCHEMBL31528063 0.80 HTT (0.36) ALDH1A1RAB9AHPGDNPC1CNR2
SCHEMBL31528074 0.80 GSK3B (0.40) BRD4ALDH1A1HPGDCNR2MEN1
SCHEMBL31528070 0.80 HTT (0.40) ALDH1A1RAB9AHPGDMAPTNPC1
SCHEMBL31528283 0.79 HTT (0.36) ALDH1A1RAB9AHPGDMAPTHDAC1
SCHEMBL31528055 0.78 ALDH1A1 (0.35) ALDH1A1HTT

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