SCHEMBL5569233

SCHEMBL5569233

O=C(O)c1cc(C(=O)O)c(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.55
FOLH1 Q04609 1/20 0.55
HNF4A P41235 3/20 0.53
AKR1C2 P52895 3/20 0.52
AKR1C1 Q04828 3/20 0.52
AKR1C3 P42330 1/20 0.52
PTPN6 P29350 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
PTPN2 P17706 1/20 0.50
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
ACMSD Q8TDX5 3/20 0.48
DHFR P00374 1/20 0.48
MCL1 Q07820 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BCAT2 O15382 1/20 0.47
BACE1 P56817 1/20 0.46
PRKAB2 O43741 1/20 0.45

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
SCHEMBL667582 0.95 PTPN1 (0.59) PTPN1FOLH1HNF4AAKR1C2AKR1C1
SCHEMBL9171492 0.93 PTPN1 (0.57) PTPN1FOLH1HNF4AAKR1C2AKR1C1
SCHEMBL28439181 0.91 PTPN1 (0.55) PTPN1FOLH1HNF4AAKR1C2AKR1C1
SCHEMBL7772423 0.91 PTPN1 (0.59) PTPN1FOLH1HNF4AAKR1C2AKR1C1
SCHEMBL28486818 0.89 CYP2C8 (0.56) PTPN1FOLH1HNF4AAKR1C3PTPN6
SCHEMBL5851553 0.88 PTPN1 (0.57) PTPN1FOLH1HNF4AAKR1C2AKR1C1
Pyromellitic Acid SCHEMBL27709363 0.85 ACMSD (0.61) PTPN1HNF4AAKR1C2AKR1C1AKR1C3
SCHEMBL27532813 0.84 LDHA (0.53) PTPN1FOLH1HNF4AAKR1C2AKR1C1
SCHEMBL594177 0.83 IDO1 (0.57) PTPN1FOLH1HNF4AAKR1C2AKR1C1
Hydrochloric Acid SCHEMBL8067582 0.83 HNF4A (0.55) PTPN1FOLH1HNF4AAKR1C2AKR1C1

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
WO-2007103063-A2 A PROCESS TO PRODUCE A POST CATALYST REMOVAL COMPOSITION EASTMAN CHEMICAL COMPANY (US) 2007-09-13 WO disclosed
WO-2007103064-A1 VERSATILE OXIDATION BYPRODUCT PURGE PROCESS EASTMAN CHEMICAL COMPANY (US) 2007-09-13 WO disclosed
WO-2006125108-A1 AN ENRICHED CARBOXYLIC ACID COMPOSITION EASTMAN CHEMICAL COMPANY (US) 2006-11-23 WO disclosed
US-4251649-A COMPRISING A LOW MOLECULAR WEIGHT MODIFIER POLYESTER AND A POLYFUNCTIONAL HYDROXY OR AMINE TEIJIN LIMITED (JP) 1981-02-17 US disclosed