SCHEMBL8647148

SCHEMBL8647148

CC(C)(C)c1cccc(C(=O)O)c1O.[AlH3]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
ALB P02768 1/20 0.50
MMP2 P08253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
HNF4A P41235 1/20 0.47
ALOX15 P16050 2/20 0.46
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
HMGB1 P09429 2/20 0.43
ALOX12 P18054 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 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
SCHEMBL30638079 0.98 CA2 (0.61) CA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL39311 0.98 CA2 (0.61) CA2ALDH1A1KDM4EHPGDHSD17B10
Bicarbonate SCHEMBL21836092 0.96 CA2 (0.59) CA2ALDH1A1KDM4EHPGDHSD17B10
Bicarbonate SCHEMBL238202 0.96 CA2 (0.59) CA2ALDH1A1KDM4EHPGDHSD17B10
Bromide SCHEMBL6849791 0.96 CA2 (0.59) CA2ALDH1A1KDM4EHPGDHSD17B10
Trifluoroacetic Acid SCHEMBL6852951 0.90 CA2 (0.52) CA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8878983 0.86 ALDH1A1 (0.57) CA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8170032 0.84 CA2 (0.46) CA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2164486 0.84 CA2 (0.46) CA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6851744 0.82 CA2 (0.61) CA2ALDH1A1KDM4EHPGDHSD17B10

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
EP-0609003-B1 Liquid developer compositions XEROX CORP (US) 1998-09-09 EP disclosed
EP-0609003-A1 Liquid developer compositions XEROX CORPORATION (US) 1994-08-03 EP disclosed