SCHEMBL4743903

SCHEMBL4743903

Cc1ccc([C@@H]2NC(C(=O)O)CS2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
MAPT P10636 6/20 1.00
ALDH1A1 P00352 9/20 0.71
HSD17B10 Q99714 1/20 0.69
S1PR3 Q99500 2/20 0.61
ALOX15 P16050 1/20 0.61
POLB P06746 2/20 0.58
PTGS2 P35354 2/20 0.55
PTGS1 P23219 1/20 0.55
PKM P14618 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GFER P55789 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL4743901 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL11067751 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL16084531 0.92 KDM4E (0.84) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL11373045 0.85 KDM4E (0.74) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL2029800 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL2034753 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL31714043 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL5526027 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL3059385 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3
SCHEMBL2034755 0.85 ALDH1A1 (0.76) KDM4EMAPTALDH1A1HSD17B10S1PR3

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-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed