Isophthalic Acid

Isophthalic Acid

SCHEMBL9250674

C1CCCCCCCCC1.C1CCCCCCCCC1.NCC1(CN)CCCCCCCCC1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
CACNA2D1 P54289 1/20 0.49
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
KMO O15229 2/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
Terephthalic Acid SCHEMBL9250529 0.86 TSHR (0.55) ALDH1A1CYP1A2SMN1; SMN2USP2LMNA
Isophthalic Acid SCHEMBL8734977 0.85 CYP2C9 (0.46) ALDH1A1CYP1A2SMN1; SMN2CYP2C9CYP2D6
Terephthalic Acid SCHEMBL247734 0.82 CYP2C9 (0.44) ALDH1A1CYP1A2SMN1; SMN2TSHRCYP2C9
SCHEMBL28210207 0.79 CYP2D6 (0.40) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2D6
Isophthalic Acid SCHEMBL28002064 0.78 CA12 (0.48) ALDH1A1CYP1A2BLMCYP2C9CYP2D6
Isophthalic Acid SCHEMBL27962393 0.78 KMO (0.60) ALDH1A1CYP1A2SMN1; SMN2TSHRCYP2C9
Isophthalic Acid SCHEMBL6857089 0.78 KMO (0.60) ALDH1A1CYP1A2SMN1; SMN2TSHRCYP2C9
Isophthalic Acid SCHEMBL259039 0.78 KMO (0.60) ALDH1A1CYP1A2SMN1; SMN2TSHRCYP2C9
Isophthalic Acid SCHEMBL6752087 0.77 KMO (0.49) ALDH1A1CYP1A2SMN1; SMN2BLMCYP2C9
Isophthalic Acid SCHEMBL4650624 0.77 HDAC3 (0.41) ALDH1A1SMN1; SMN2LMNACYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399306-A Copolymerization of polyamide polymers, extrusion and forming filaments into yarns E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-21 US claimed
EP-0516667-A1 IMPROVEMENTS IN/OR RELATING TO THE PRODUCTION OF NYLON YARN E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1992-12-09 EP claimed
WO-1991013194-A1 IMPROVEMENTS IN/OR RELATING TO THE PRODUCTION OF NYLON YARN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-05 WO claimed
US-5399306-A Copolymerization of polyamide polymers, extrusion and forming filaments into yarns E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-21 US disclosed
EP-0516667-A1 IMPROVEMENTS IN/OR RELATING TO THE PRODUCTION OF NYLON YARN E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1992-12-09 EP disclosed
WO-1991013194-A1 IMPROVEMENTS IN/OR RELATING TO THE PRODUCTION OF NYLON YARN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-05 WO disclosed