SCHEMBL877194

SCHEMBL877194

C=CCOC(=O)C(CCO)N(c1ccc(C(=O)O)cc1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MCL1 Q07820 1/20 0.34
ALOX5 P09917 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
PTGES O14684 2/20 0.32
HTT P42858 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL876803 0.84 RORC (0.36) SMN1; SMN2RXRAMAPTMEN1KMT2A
SCHEMBL876802 0.84 RORC (0.36) SMN1; SMN2RXRAMAPTMEN1KMT2A
SCHEMBL873814 0.77 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL874582 0.70 LMNA (0.48) RAB9ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL28325495 0.68 CYP3A4 (0.38) LMNASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL6722425 0.66 LMNA (0.46) LMNASMN1; SMN2MCL1ALOX5PTGES
SCHEMBL175787 0.65 SNCA (0.59) CSNK2A2CSNK2A1MAPTALDH1A1L3MBTL1
SCHEMBL10489918 0.65 KMT2A (0.58) RAB9ALMNASMN1; SMN2CSNK2A2CSNK2A1
SCHEMBL8870031 0.64 ANPEP (0.46) RAB9ASMN1; SMN2CSNK2A2CSNK2A1RXRA
Bicarbonate SCHEMBL6554150 0.64 SNCA (0.58) CSNK2A2CSNK2A1MAPTALDH1A1L3MBTL1

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-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed