SCHEMBL7436989

SCHEMBL7436989

CC(NC(=O)C1(C(=O)O)CCCC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 5/20 0.40
MMP13 P45452 3/20 0.40
MMP9 P14780 3/20 0.40
MMP3 P08254 2/20 0.40
MMP1 P03956 2/20 0.40
MMP7 P09237 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL8098185 0.73 USP30 (0.56) SMN1; SMN2ALDH1A1
SCHEMBL7436979 0.72 USP2 (0.50) SMN1; SMN2MMP2ALDH1A1L3MBTL1CA12
SCHEMBL13483598 0.72 LMNA (0.56) ALDH1A1HSD17B10CYP1A2
SCHEMBL7432751 0.71 LMNA (0.49) ALDH1A1L3MBTL1
SCHEMBL14355562 0.69 ALDH1A1 (0.41) MMP2MMP9MMP1ALDH1A1L3MBTL1
SCHEMBL945862 0.69 SMN1; SMN2 (0.61) ADAMTS4SMN1; SMN2MMP2MMP13MMP9
SCHEMBL11512348 0.68 SMN1; SMN2 (0.59) ADAMTS4SMN1; SMN2MMP2MMP13MMP9
SCHEMBL9911496 0.67 ALDH1A1 (0.42) MMP2MMP9MMP1ALDH1A1L3MBTL1
SCHEMBL790069 0.67 ADAMTS4 (0.81) ADAMTS4SMN1; SMN2MMP2MMP13MMP9
SCHEMBL702794 0.67 ADAMTS4 (0.81) ADAMTS4SMN1; SMN2MMP2MMP13MMP9

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-5814622-A COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS ADIR ET COMPAGNIE (FR) 1998-09-29 US disclosed