SCHEMBL4621060

SCHEMBL4621060

CC(c1ccccc1)S(=O)(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.53
HTT P42858 1/20 0.51
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
MMP13 P45452 3/20 0.43
SRC P12931 2/20 0.43
MMP1 P03956 2/20 0.43
MMP7 P09237 2/20 0.43
MMP9 P14780 2/20 0.43
MME P08473 2/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PMP22 Q01453 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4619215 1.00 ADAMTS4 (0.53) ADAMTS4HTTMMP2MMP3MMP13
SCHEMBL10371824 0.81 ALDH1A1 (0.42) HTTLMNAPOLBKDM4EGMNN
SCHEMBL4619146 0.80 PKLR (0.43) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL4621582 0.80 PKLR (0.43) ADAMTS4MMP2MMP3MMP13MMP1
SCHEMBL28258812 0.79 ALDH1A1 (0.50) LMNAPOLBKDM4EGMNNALDH1A1
SCHEMBL2392454 0.78 KMT2A (0.43) SRCLMNAPOLBKDM4EGMNN
SCHEMBL16503498 0.77 ALDH1A1 (0.44) SRCLMNAPOLBKDM4EGMNN
SCHEMBL13189591 0.77 ALDH1A1 (0.44) SRCLMNAPOLBKDM4EGMNN
SCHEMBL22193557 0.75 KMT2A (0.46) SRCLMNAPOLBKDM4EGMNN
SCHEMBL18028795 0.75 KMT2A (0.47) LMNAPOLBKDM4EGMNNALDH1A1

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