SCHEMBL4622372

SCHEMBL4622372

COc1ccccc1S(=O)(=O)NC(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 2/20 0.60
ADAMTS4 O75173 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CASP1 P29466 5/20 0.49
HTR6 P50406 1/20 0.49
KAT6A Q92794 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4620131 1.00 ITGAV (0.60) ITGAVADAMTS4NPSR1ALDH1A1HPGD
SCHEMBL4618939 1.00 ITGAV (0.60) ITGAVADAMTS4NPSR1ALDH1A1HPGD
SCHEMBL14676507 0.83 ITGAV (0.55) ITGAVNPSR1CASP1HTR6KAT6A
SCHEMBL24429623 0.82 NPSR1 (0.59) ITGAVNPSR1ALDH1A1HTR6KAT6A
SCHEMBL4622116 0.81 ITGAV (0.70) ITGAVNPSR1CASP1HTR6KAT6A
SCHEMBL4621521 0.81 ITGAV (0.70) ITGAVNPSR1CASP1HTR6KAT6A
SCHEMBL4621068 0.81 ITGAV (0.70) ITGAVNPSR1CASP1HTR6KAT6A
SCHEMBL14798294 0.80 SLC1A3 (0.64) ITGAVADAMTS4ALDH1A1CASP1KAT6A
SCHEMBL27895996 0.80 SLC1A3 (0.64) ITGAVADAMTS4ALDH1A1CASP1KAT6A
SCHEMBL10765699 0.80 SLC1A3 (0.64) ITGAVADAMTS4ALDH1A1CASP1KAT6A

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
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed