SCHEMBL28396247

SCHEMBL28396247

Cc1cc(C(=O)O)c(C(=O)O)c(C)c1Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
POLB P06746 3/20 0.46
TDP1 Q9NUW8 3/20 0.45
HPSE Q9Y251 1/20 0.40
PLA2G2A P14555 1/20 0.40
KDM4E B2RXH2 1/20 0.38
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
PYGM P11217 4/20 0.38
PYGL P06737 4/20 0.38
LMNA P02545 1/20 0.37
APEX1 P27695 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GALK1 P51570 1/20 0.36
CASP6 P55212 1/20 0.36
MCL1 Q07820 1/20 0.36
PLEC Q15149 1/20 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
SCHEMBL9847756 0.84 ALDH1A1 (0.49) ALDH1A1POLBTDP1HPSEPLA2G2A
SCHEMBL1656305 0.82 ALDH1A1 (0.50) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL1656302 0.81 ALDH1A1 (0.53) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL6318642 0.81 POLB (0.56) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL522566 0.78 POLB (0.54) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL8656957 0.78 ALDH1A1 (0.49) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL28887578 0.76 HSD17B10 (0.43) ALDH1A1POLBTDP1PLA2G2AKDM4E
SCHEMBL10812761 0.76 ALDH1A1 (0.50) ALDH1A1POLBTDP1HPSEPLA2G2A
SCHEMBL29260789 0.76 ALDH1A1 (0.50) ALDH1A1POLBTDP1HPSEKDM4E
SCHEMBL29426403 0.75 POLB (0.70) ALDH1A1POLBTDP1HPSEKDM4E

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
CN-107082881-B Synthetic method and application of semi-aromatic polyimide 株洲时代新材料科技股份有限公司 2020-02-11 CN disclosed