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SCHEMBL13899285

SCHEMBL13899285

CC(C)C[C@H](NC(=O)OCc1ccccc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.49
▸ CTSK P43235 7/20 0.48
▸ ATM Q13315 1/20 0.47
▸ CTSL P07711 3/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSB P07858 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL13899365 0.89 ATM (0.46) ATMCTSLCTSSCTSB
SCHEMBL13899543 0.89 ATM (0.46) ATMCTSLCTSS
SCHEMBL13721611 0.87 ATM (0.57) ATMCTSLCTSSMEN1LMNA
SCHEMBL12052784 0.79 ITGB3 (0.67) CTSKCTSLCTSSCTSB
SCHEMBL1701856 0.79 ITGB3 (0.67) CTSKCTSLCTSSCTSB
SCHEMBL14099875 0.76 HSD17B10 (0.45) CTSKATMCTSLCTSSCTSB
SCHEMBL5106118 0.76 HSD17B10 (0.45) CTSKATMCTSLCTSSCTSB
SCHEMBL29944699 0.76 TP53 (0.50) CTSKATMCTSLCTSSCTSB
SCHEMBL29944721 0.76 TP53 (0.50) CTSKATMCTSLCTSSCTSB
SCHEMBL1553867 0.75 GPR88 (0.44) AAK1ATMMEN1KMT2A

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
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 — — US disclosed