SCHEMBL28537504

SCHEMBL28537504

COc1cc(C(=O)CC#N)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ELANE P08246 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL28910604 0.88 CA12 (0.54) ALDH1A1MAPTCA12CA1CA2
SCHEMBL30487237 0.84 MAPT (0.66) ALDH1A1MAPTCA12CA1CA2
SCHEMBL139147 0.84 MAPT (0.66) ALDH1A1MAPTCA12CA1CA2
SCHEMBL12694462 0.82 MEN1 (0.65) ALDH1A1MAPTELANEHTTKDM4E
SCHEMBL135295 0.82 MAPT (0.51) ALDH1A1MAPTCA12CA1CA2
SCHEMBL6583868 0.81 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL966378 0.79 CA12 (0.71) ALDH1A1CA12CA1CA2CA4
SCHEMBL9902302 0.78 HTT (0.59) ALDH1A1MAPTELANEHTTTSHR
SCHEMBL12694514 0.78 ALDH1A1 (0.61) ALDH1A1MAPTELANEHTTHPGD
SCHEMBL15353806 0.78 MAPT (0.50) ALDH1A1MAPTCA12CA1CA2

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
CN-107024834-B Compound and coloring composition 住友化学株式会社 2021-11-23 CN disclosed
CN-107586469-B Pigment composition, coloring composition, and coloring curable composition 住友化学株式会社 2021-04-06 CN disclosed