SCHEMBL157483

SCHEMBL157483

CC(C)Cc1ccc([NH])cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.35
ATM Q13315 1/20 0.35
CTSG P08311 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
GAA P10253 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL157844 0.87 ATM (0.35) ELANEATMCTSGGABRA1GABRB2
SCHEMBL157160 0.82 HPGD (0.38) GABRA1GABRB2HPGDALDH1A1LMNA
SCHEMBL19646301 0.81 GABRA1 (0.51) GABRA1GABRB2ALDH1A1LMNA
SCHEMBL157484 0.80 RAPGEF4 (0.44) ATMGAAHPGDALDH1A1CYP1A2
SCHEMBL155282 0.75 TYR (0.41) ELANECTSGGAAHPGDALDH1A1
SCHEMBL4657831 0.75 GABRA1 (0.48) ELANEATMCTSGGABRA1GABRB2
Ammonia Solution, Strong SCHEMBL23749128 0.74 GABRA1 (0.47) ELANEATMCTSGGABRA1GABRB2
SCHEMBL157769 0.74 FABP3 (0.43) GAAFABP3FABP4FABP5HPGD
SCHEMBL156571 0.73 TYR (0.44) ELANECTSGALDH1A1CYP3A4ALOX15
SCHEMBL156403 0.73 TYR (0.44) ELANECTSGALDH1A1CYP3A4ALOX15

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
US-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed