SCHEMBL31229322

SCHEMBL31229322

CC(C)(C)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.47
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
CA2 P00918 3/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
AKR1C3 P42330 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1355526 1.00 ALOX15 (0.47) ALOX15GLRA3GLRBCA2ALDH1A1
Water SCHEMBL28274879 0.98 ALOX15 (0.46) ALOX15GLRA3GLRBCA2ALDH1A1
SCHEMBL28528741 0.98 ALOX15 (0.46) ALOX15GLRA3GLRBCA2ALDH1A1
SCHEMBL29963833 0.88 ALOX15 (0.47) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL22635 0.88 ALOX15 (0.47) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL29399939 0.88 ALOX15 (0.47) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL7854316 0.87 GLRA3 (0.54) ALOX15GLRA3GLRBCA2ALDH1A1
SCHEMBL11247684 0.87 GLRA3 (0.43) ALOX15GLRA3GLRBCA2ALDH1A1
SCHEMBL5550242 0.86 ALOX15 (0.46) ALOX15CA2ALDH1A1KDM4EHPGD
SCHEMBL8879142 0.86 ALOX15 (0.46) ALOX15CA2ALDH1A1KDM4EHPGD

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
CN-118932536-A Polyester industrial yarn and preparation method thereof 泰信达化纤(盐城)有限公司 2024-11-12 CN disclosed