SCHEMBL9067141

SCHEMBL9067141

CCS(=O)(=O)c1ccc(C([NH])=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD11B1 P28845 2/20 0.40
RECQL P46063 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
UGT1A7 Q9HAW7 1/20 0.40

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
SCHEMBL6852273 0.86 ALDH1A1 (0.48) GAALMNAALDH1A1HSD11B1RAB9A
SCHEMBL1403608 0.81 TSHR (0.61) PSIP1GAATSHRHSD17B10ALDH1A1
SCHEMBL10451127 0.79 PSIP1 (0.50) PSIP1GAATSHRHSD17B10ALDH1A1
SCHEMBL13861088 0.79 MAPT (0.52) PSIP1GAALMNAALDH1A1HSD11B1
SCHEMBL4639123 0.79 CA2 (0.61) PSIP1GAATSHRHSD17B10ALDH1A1
SCHEMBL10455034 0.79 PSIP1 (0.74) PSIP1GAALMNAALDH1A1HSD11B1
SCHEMBL9067806 0.78 ENPP2 (0.54)
SCHEMBL8173731 0.78 PRSS1 (0.55) PSIP1GAALMNAALDH1A1
SCHEMBL6852673 0.77 ALDH1A1 (0.59) LMNATSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL1498161 0.76 LMNA (0.52) LMNATSHRHSD17B10ALDH1A1SMN1; SMN2

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-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 EP disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed