SCHEMBL9615016

SCHEMBL9615016

O=C/C(=C(/C=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 4/20 0.59
MAPK1 P28482 2/20 0.59
CES1 P23141 5/20 0.48
CES2 O00748 4/20 0.48
TSHR P16473 3/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
AKR1C1 Q04828 1/20 0.44
AKT1 P31749 1/20 0.44
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
CA4 P22748 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 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
SCHEMBL9615018 1.00 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL2832453 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL2832450 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL4693706 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL2832454 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL10456489 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL19243152 0.83 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL1824858 0.83 TCF4 (0.58) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL1824861 0.83 TCF4 (0.58) ALDH1A1TDP1MAPK1CES1CES2
SCHEMBL19243246 0.83 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1CES1CES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499603-A4 PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES 1992-12-30 EP disclosed
US-5175242-A PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES THE UNIVERSITY OF AKRON (US) 1992-12-29 US disclosed
EP-0499603-A1 PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES THE UNIVERSITY OF AKRON (US) 1992-08-26 EP disclosed
WO-1990010025-A1 PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES THE UNIVERSITY OF AKRON (US) 1990-09-07 WO disclosed