SCHEMBL6206375

SCHEMBL6206375

COc1ccccc1CC([O])OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL9480529 0.84 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1L3MBTL1
SCHEMBL6205366 0.84 CA12 (0.47) ALDH1A1GAACA12CA1CA2
SCHEMBL28805376 0.80 IDO1 (0.52) IDO1TAAR1CHRM2CHRM1L3MBTL1
SCHEMBL9479313 0.79 IDO1 (0.47) IDO1TAAR1CHRM2CHRM1L3MBTL1
SCHEMBL6205489 0.78 IDO1 (0.44) IDO1TAAR1HTTALDH1A1MAPT
SCHEMBL6205184 0.78 LMNA (0.43) IDO1TAAR1ALDH1A1MAPTHPGD
SCHEMBL878976 0.78 IDO1 (0.53) IDO1TAAR1CHRM2CHRM1L3MBTL1
SCHEMBL6201417 0.77 IDO1 (0.42) IDO1TAAR1L3MBTL1ALDH1A1KMT2A
SCHEMBL6206376 0.77 IDO1 (0.48) IDO1TAAR1CHRM2CHRM1L3MBTL1
SCHEMBL27612089 0.77 IDO1 (0.53) IDO1TAAR1CHRM2CHRM1L3MBTL1

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed