SCHEMBL28064460

SCHEMBL28064460

CC(C)(C)c1c(C(=O)O)cccc1C(=O)O.[Zn]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA4 P22748 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
HMGB1 P09429 1/20 0.43
CA6 P23280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL161622 0.98 ALOX15 (0.53) ALOX15ALDH1A1KDM4EHPGDHSD17B10
Terephthalic Acid SCHEMBL11573174 0.90 SRD5A2 (0.50) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29678146 0.85 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11930069 0.85 ALDH1A1 (0.57) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8849607 0.85 ALDH1A1 (0.54) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL273494 0.85 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4737878 0.85 ALOX15 (0.43) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1855103 0.84 PRNP (0.46) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10222516 0.84 TSHR (0.57) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7530383 0.84 ALOX15 (0.46) ALOX15ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105579128-B The method that recycling forms the component of metal-organic framework materials 巴斯夫欧洲公司 2019-10-08 CN disclosed
CN-105579128-A Process for the recovery of components forming a metal-organic framework material BASF SE 2016-05-11 CN disclosed