SCHEMBL9013418

SCHEMBL9013418

O=C(O)c1cccc(C(F)(F)c2cccc(C(=O)O)c2C(=O)O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 3/20 0.44
TAS2R14 Q9NYV8 2/20 0.44
FABP4 P15090 1/20 0.43
ALB P02768 1/20 0.42
LMNA P02545 2/20 0.42
AKR1C3 P42330 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL2964734 0.88 TAS2R14 (0.51) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL7095723 0.86 ALOX15 (0.43) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL27075282 0.86 TAS2R14 (0.50) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL145576 0.85 TAS2R14 (0.42) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL29404866 0.85 TAS2R14 (0.42) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL30269555 0.85 TAS2R14 (0.42) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL8713228 0.83 TAS2R14 (0.41) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL28850263 0.82 TAS2R14 (0.43) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL3423138 0.82 TAS2R14 (0.40) ALDH1A1ALOX15TAS2R14FABP4ALB
SCHEMBL8977522 0.80 TAS2R14 (0.39) ALDH1A1ALOX15TAS2R14FABP4ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578696-A POLYISOIMIDE NITTO DENKO CORPORATION (JP) 1996-11-26 US disclosed
EP-0170591-B1 PROCESS FOR PREPARING COMPOSITIONS OF POLYIMIDE PRECURSORS CENTRE D'ETUDE DES MATERIAUX ORGANIQUES POUR TECHNOLOGIES AVANCEES (FR) 1989-04-05 EP disclosed
EP-0170591-A1 Process for preparing compositions of polyimide precursors CENTRE D'ETUDE DES MATERIAUX ORGANIQUES POUR TECHNOLOGIES AVANCEES (FR) 1986-02-05 EP disclosed