SCHEMBL5565432

SCHEMBL5565432

C=Cc1ccccc1OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.39
CXCR3 P49682 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
CYP19A1 P11511 2/20 0.39
SCN9A Q15858 4/20 0.39
ELANE P08246 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL12760765 0.80 MAPT (0.50) CYP2C19MAPTKMT2AMAPK1NPSR1
SCHEMBL10409063 0.76 CYP2C19 (0.53) CYP2C19MAPTKMT2AMAPK1NPSR1
SCHEMBL3946149 0.75 CYP2C19 (0.54) CYP2C19MAPTKMT2AMAPK1NPSR1
SCHEMBL9096177 0.71 MAPT (0.39) CYP2C19MAPTKMT2AMAPK1NPSR1
SCHEMBL28519831 0.71 CYP2C19 (0.51) CYP2C19MAPTKMT2AMAPK1NPSR1
SCHEMBL2921356 0.70 CYP19A1 (0.45) CYP2C19MAPTKMT2AMAPK1CXCR3
SCHEMBL28076055 0.69 ALDH1A1 (0.43) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL27696212 0.69 ALDH1A1 (0.43) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL4369996 0.69 ALDH1A1 (0.43) CYP2C19MAPTKMT2AMAPK1CYP19A1
SCHEMBL11587371 0.68 FFAR1 (0.51) CYP2C19MAPTKMT2AMAPK1CXCR3

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
EP-1769286-A2 OXIME DERIVATIVES AND THE USE THEROF AS LATENT ACIDS Ciba Specialty Chemicals Holding Inc. (CH) 2007-04-04 EP disclosed
WO-2006008250-A2 OXIME DERIVATIVES AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-26 WO disclosed