SCHEMBL2897882

SCHEMBL2897882

O=C(O)c1c(Cl)cc(C(=O)O)c2c(C(=O)O)cc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.43
CASP1 P29466 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11097761 0.80 CYP3A4 (0.46) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL24455 0.80 ALDH1A1 (0.45) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL29764017 0.80 ALDH1A1 (0.45) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL29684531 0.78 AKR1C4 (0.63) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL29764032 0.78 CYP1A2 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL8467899 0.78 AKR1C4 (0.63) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL30254 0.78 CYP1A2 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL11424239 0.78 ALDH1A1 (0.55) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL2904787 0.76 DPP4 (0.46) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL28737173 0.76 AKR1C4 (0.61) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1

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
US-20100285292-A1 Aromatic Polyimide Film and Process for the Production Thereof TEIJIN LIMITED (JP) 2010-11-11 US disclosed
EP-1867675-A1 AROMATIC POLYIMIDE FILM AND METHOD FOR PRODUCING SAME Teiken Limited (JP) 2007-12-19 EP disclosed