SCHEMBL5172986

SCHEMBL5172986

CC=C(C(=O)O)c1ccccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
ALOX15 P16050 2/20 0.61
AKR1C3 P42330 2/20 0.48
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HMGB1 P09429 2/20 0.46
HPGD P15428 2/20 0.46
NAPRT Q6XQN6 2/20 0.46
CA6 P23280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MYC P01106 3/20 0.46
NR4A1 P22736 1/20 0.46
MAPT P10636 1/20 0.45
HDAC8 Q9BY41 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
Phthalic Acid SCHEMBL30776931 0.81 ALDH1A1 (0.74) ALDH1A1ALOX15AKR1C3CA12CA1
SCHEMBL4787174 0.81 HPGD (0.56) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL27782677 0.81 HPGD (0.56) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9464464 0.81 ERCC5 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2MYC
SCHEMBL6512339 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL7192838 0.79 ALDH1A1 (0.70) ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL9722583 0.79 ALDH1A1 (0.70) ALDH1A1ALOX15AKR1C3CA12CA1
SCHEMBL28664230 0.79 MEN1 (0.47) ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL23882959 0.78 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3CA12CA1
Phthalic Acid SCHEMBL30575217 0.78 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3CA12CA1

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
EP-1781100-A1 A DISINFECTANT FORMULATION Antec International Limited (GB) 2007-05-09 EP claimed
WO-2006016145-A1 A DISINFECTANT FORMULATION ANTEC INTERNATIONAL LIMITED (GB) 2006-02-16 WO claimed
EP-0565017-B1 Liquid bleach and detergent compositions SOLVAY INTEROX LTD (GB) 1999-07-07 EP claimed
EP-0373546-B1 Use of triacylated ethanolamines as liquid water miscible peroxyde activators HOECHST AG (DE) 1996-04-10 EP disclosed
EP-0401780-A2 Polymers, process for their preparation and their use as bleach activator with builder properties HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-12 EP disclosed
EP-0373546-A2 Use of triacylated ethanolamines as liquid water miscible peroxyde activators HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed