SCHEMBL30121173

SCHEMBL30121173

CCOC(=O)c1[nH]c2c(c1C)CCc1cc(Br)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
AURKA O14965 1/20 0.39
MAPK10 P53779 1/20 0.39
RIPK1 Q13546 1/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL23649905 1.00 CYP1A2 (0.40) CYP1A2CYP2C19CYP2C9SRD5A1SRD5A2
SCHEMBL23649473 0.83 HPGD (0.49) CYP1A2CYP2C19CYP2C9RAB9AMEN1
SCHEMBL10429668 0.75 SRD5A1 (0.61) CYP1A2SRD5A1SRD5A2RAB9AMEN1
SCHEMBL29834145 0.74 GABRP (0.46) CYP1A2CYP2C19CYP2C9RAB9AMEN1
SCHEMBL23833551 0.74 GABRP (0.46) CYP1A2CYP2C19CYP2C9RAB9AMEN1
SCHEMBL6653339 0.73 SRD5A1 (0.44) SRD5A1SRD5A2MEN1KMT2APTGES
SCHEMBL4738338 0.72 SRD5A1 (0.43) CYP1A2CYP2C19CYP2C9SRD5A1SRD5A2
SCHEMBL24746391 0.70 HPGD (0.45) RAB9AMEN1KMT2AHPGDMAPT
SCHEMBL24074581 0.70 ALDH1A1 (0.58) CYP1A2CYP2C19CYP2C9RAB9AHPGD
SCHEMBL3011731 0.70 ALDH1A1 (0.69) CYP1A2CYP2C19CYP2C9RAB9AMEN1

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
WO-2022212587-A1 HORTICULTURE LIGHTING SYSTEM AND METHOD USING LIGHT GUIDE ELEMENT NITTO DENKO CORPORATION (JP) 2022-10-06 WO disclosed