SCHEMBL7413304

SCHEMBL7413304

Cc1occc1SC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
RXFP1 Q9HBX9 3/20 0.38
PRNP P04156 2/20 0.38
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAP2K7 O14733 1/20 0.37
ELANE P08246 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
MAPK10 P53779 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL11818438 0.86 HPGD (0.37) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL8634792 0.83 HPGD (0.36) KDM4ELMNAALDH1A1HPGDKMT2A
SCHEMBL4572613 0.75 HPGD (0.35) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL5496057 0.73 KDM4E (0.41) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL9276486 0.73 DDB1 (0.34) KDM4ELMNAHPGD
SCHEMBL10888602 0.73 TP53 (0.42) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL13603779 0.72 RXFP1 (0.54) KDM4ELMNARXFP1PRNPALDH1A1
SCHEMBL11825483 0.72 HPGD (0.36) KDM4ELMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3506615 0.71 HPGD (0.35) KDM4ELMNAALDH1A1HPGDKMT2A
SCHEMBL11517389 0.70 RXFP1 (0.50) KDM4ELMNARXFP1PRNPALDH1A1

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-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 WO disclosed