SCHEMBL4397955

SCHEMBL4397955

CC(=O)CC(=O)Nc1c(O)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.50
PLK1 P53350 1/20 0.49
MAPT P10636 2/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
HPGD P15428 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA12 O43570 1/20 0.44
HMGB1 P09429 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA14 Q9ULX7 1/20 0.44
G6PD P11413 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 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
SCHEMBL31046806 0.83 PTPN11 (0.55) PTPN11PLK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL25258585 0.83 PTPN11 (0.55) PTPN11PLK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30195450 0.79 PTPN11 (0.58) PTPN11PLK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9622077 0.77 PTPN11 (0.50) PTPN11PLK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27182207 0.77 TSHR (0.57) PLK1MAPTKDM4EHTTSELP
SCHEMBL7985663 0.76 PTPN11 (0.55) PTPN11PLK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL135374 0.76 PLK1 (0.45) PTPN11PLK1MAPTALDH1A1KDM4E
SCHEMBL1681296 0.75 CA12 (0.54) PTPN11PLK1MAPTALDH1A1KDM4E
SCHEMBL10603995 0.75 SOAT2 (0.62) PLK1MAPTALDH1A1KDM4EHPGD
SCHEMBL252897 0.75 KMT2A (0.73) MAPTALDH1A1KDM4ESMN1; SMN2HPGD

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-2009069314-A2 PIGMENT COMPOSITION, AND POLYMERIZED TONER TOYO INK MFG. CO., LTD. (JP) 2009-06-04 WO disclosed