SCHEMBL8014154

SCHEMBL8014154

CC(=O)NC(S)(CC(=O)O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
MAPT P10636 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RECQL P46063 2/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
ELANE P08246 1/20 0.38
ALOX15 P16050 1/20 0.37
ALPL P05186 2/20 0.35
ALPI P09923 2/20 0.35
ALPG P10696 2/20 0.35
NAPRT Q6XQN6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL8014150 0.72 MTNR1A (0.41) L3MBTL1MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL28377681 0.70 ALOX15 (0.48) L3MBTL1CYP2C19HIF1AALOX15MEN1
SCHEMBL21758223 0.70 ALDH1A1 (0.49) CYP2C19HIF1AALDH1A1RECQL
SCHEMBL10498188 0.69 MAPT (0.41) L3MBTL1MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL27679367 0.69 CYP2C19 (0.50) L3MBTL1MAPTCYP2C19HIF1AALDH1A1
SCHEMBL2365012 0.69 MMP2 (0.38) L3MBTL1MTNR1AMTNR1BMAPTCYP2C19
SCHEMBL10417410 0.68 ALPL (0.40) L3MBTL1MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL10713019 0.67 ALOX15 (0.45) CYP2C19HIF1AALOX15PPARG
SCHEMBL36736 0.67 ALOX15 (0.45) L3MBTL1CYP2C19HIF1AALOX15PPARG
SCHEMBL1144525 0.67 CYP2C19 (0.56) MAPTCYP2C19HIF1AALDH1A1RECQL

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
WO-2000034255-A1 SUBSTITUTED THIAZOLES FOR TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF P-, L- AND E- SELECTIN ONTOGEN CORPORATION (US) 2000-06-15 WO disclosed