SCHEMBL17513301

SCHEMBL17513301

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ IDO1 P14902 2/20 0.48
▸ MC4R P32245 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ HDAC8 Q9BY41 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ XBP1 P17861 1/20 0.42

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
SCHEMBL1521458 1.00 SMN1; SMN2 (0.49) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL2897780 1.00 SMN1; SMN2 (0.49) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL2524063 0.88 SMN1; SMN2 (0.51) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL2524061 0.88 SMN1; SMN2 (0.51) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL4783076 0.88 SMN1; SMN2 (0.51) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL5758739 0.87 SMN1; SMN2 (0.50) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL29500819 0.86 CTSL (0.42) SMN1; SMN2TP53IDO1ALDH1A1HPGD
SCHEMBL1614505 0.83 MC4R (0.55) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL4288943 0.83 MC4R (0.55) SMN1; SMN2TP53IDO1MC4RALDH1A1
SCHEMBL29726536 0.83 MC4R (0.55) SMN1; SMN2TP53IDO1MC4RALDH1A1

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-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 — — WO claimed
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