Isophthalic Acid

Isophthalic Acid

SCHEMBL8664124

CCC(c1ccc(O)cc1)c1ccc(O)cc1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA6 P23280 2/20 0.52
CA9 Q16790 2/20 0.52
TTR P02766 1/20 0.49
LMNA P02545 2/20 0.48
DRD1 P21728 2/20 0.48
ESR1 P03372 1/20 0.48
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
AR P10275 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48

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
Benzoic Acid SCHEMBL28247779 0.90 LMNA (0.54) CA12CA1CA2CA6CA9
Terephthalic Acid SCHEMBL8675145 0.86 DRD1 (0.61) CA12CA1CA2CA6CA9
SCHEMBL16428925 0.83 ANPEP (0.53) CA12CA1CA2CA6CA9
SCHEMBL9843117 0.82 ANPEP (0.59) CA12CA1CA2CA6CA9
Bicarbonate SCHEMBL10591562 0.82 ESR1 (0.58) LMNADRD1ESR1CYP1A2PGR
Isophthalic Acid SCHEMBL6569118 0.82 CA12 (0.74) CA12CA1CA2CA6CA9
Benzene SCHEMBL28219933 0.82 ESR1 (0.62) LMNADRD1ESR1CYP1A2PGR
Isophthalic Acid SCHEMBL9435807 0.82 CA12 (0.74) CA12CA1CA2CA6CA9
SCHEMBL10822194 0.81 HSD17B10 (0.50) CA12CA1CA2CA6CA9
SCHEMBL9397950 0.81 CYP17A1 (0.50) CA12CA1CA2CA6CA9

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-5824446-A POLYETHYLENE AND POLYPROPYLENE WAX FOR IMPROVING SMEAR RESISTANCE, OFFSET RESISTANCE, IMPROVING FLUID FLOW MINOLTA CO., LTD. (JP) 1998-10-20 US disclosed