SCHEMBL1663999

SCHEMBL1663999

CC(C)[Si](Oc1cccc(N(C)C(=O)[C@@H](C)NC(=O)OCc2ccccc2)c1)(C(C)C)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.53
CTSL P07711 5/20 0.53
CTSB P07858 5/20 0.53
CTSS P25774 5/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
ELANE P08246 2/20 0.44
ATM Q13315 1/20 0.44
PRTN3 P24158 1/20 0.42
CAPN1 P07384 1/20 0.42
CTRB1 P17538 1/20 0.41

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
SCHEMBL5192015 0.76 CTSK (0.70) CTSKCTSLCTSBCTSSMEN1
SCHEMBL6311475 0.76 CTSK (0.70) CTSKCTSLCTSBCTSSMEN1
SCHEMBL6782182 0.76 CTSK (0.70) CTSKCTSLCTSBCTSSMEN1
SCHEMBL1663997 0.75 NPC1 (0.47) CTSKCTSLCTSBCTSSMEN1
SCHEMBL1663903 0.74 CTSK (0.45) CTSKCTSLCTSBCTSSMEN1
SCHEMBL1663905 0.74 CTSK (0.45) CTSKCTSLCTSBCTSSMEN1
SCHEMBL1643093 0.73 CTSK (0.66) CTSKCTSLCTSBCTSSMEN1
SCHEMBL1059174 0.73 CTSK (0.66) CTSKCTSLCTSBCTSSMEN1
SCHEMBL5325864 0.73 CTSK (0.66) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10658290 0.72 CTSK (0.59) CTSKCTSLCTSBCTSSMEN1

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
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed