Isophthalic Acid

Isophthalic Acid

SCHEMBL8435018

CCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)C.O=C([O-])c1cccc(C(=O)[O-])c1

nearest known ligand 0.48

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.47
APAF1 O14727 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAD52 P43351 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTB4R Q15722 1/20 0.41

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
Cetrimonium SCHEMBL8437262 1.00 DNM1 (0.47) DNM1APAF1HSP90AA1RAD52CES2
Isophthalic Acid SCHEMBL8440557 1.00 DNM1 (0.47) DNM1APAF1HSP90AA1RAD52CES2
Isophthalic Acid SCHEMBL11370519 0.94 PLA2G2A (0.46) DNM1CES2CES1LTB4R
Isophthalic Acid SCHEMBL8435024 0.94 PLA2G2A (0.46) DNM1CES2CES1LTB4R
Isophthalic Acid SCHEMBL8440562 0.94 PLA2G2A (0.46) DNM1CES2CES1LTB4R
Cetrimonium SCHEMBL8437266 0.94 PLA2G2A (0.46) DNM1CES2CES1LTB4R
Cetrimonium SCHEMBL11203681 0.90 ALDH1A1 (0.48) DNM1
Benzoic Acid SCHEMBL9012526 0.89 CES2 (0.53) DNM1APAF1HSP90AA1RAD52CES2
Benzoic Acid SCHEMBL10590395 0.89 CES2 (0.53) DNM1APAF1HSP90AA1RAD52CES2
Benzoic Acid SCHEMBL11374417 0.89 CES2 (0.53) DNM1APAF1HSP90AA1RAD52CES2

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
US-5933693-A Electroconductive elastic member and electrophotographic apparatus using same BRIDGESTONE CORPORATION (JP) 1999-08-03 US disclosed