SCHEMBL14710786

SCHEMBL14710786

Bc1ccc(-c2nonc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.43
PSMB8 P28062 1/20 0.43
TP53 P04637 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
STAT3 P40763 2/20 0.42
STAT1 P42224 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL14790552 0.87 MAPT (0.54) TSHRMAPTTHRBTP53MEN1
SCHEMBL14710823 0.87 TSHR (0.48) TSHRMAPTTHRBPSMB8TP53
SCHEMBL14710784 0.83 TSHR (0.44) TSHRMAPTTHRBTP53MEN1
SCHEMBL14790554 0.79 LPAR1 (0.48) TSHRMAPTTHRBPSMB8TP53
SCHEMBL14710753 0.78 LPAR1 (0.47) TSHRMAPTTHRBPSMB8TP53
SCHEMBL13763195 0.72 PSMB8 (0.54) PSMB8SMN1; SMN2
Water SCHEMBL27835379 0.70 PSMB8 (0.52) PSMB8SMN1; SMN2
SCHEMBL5353096 0.70 CA1 (0.35) TSHRPSMB8KMT2ASMN1; SMN2
SCHEMBL31171492 0.70 SMN1; SMN2 (0.36) TSHRPSMB8SMN1; SMN2
SCHEMBL29159120 0.70 STAT5B (0.37) MAPTPSMB8MEN1KMT2ASMN1; SMN2

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-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed