SCHEMBL263532

SCHEMBL263532

CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CASP1 P29466 5/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
SYK P43405 1/20 0.43
CTSK P43235 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSB P07858 1/20 0.42
CASP3 P42574 1/20 0.42
ELANE P08246 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
SCHEMBL5723689 0.82 ATM (0.50) ATMSYKCTSKCYP3A4CYP2C9
SCHEMBL1503938 0.81 SYK (0.49) ATMCASP1TRPM8SYKCTSK
SCHEMBL4366490 0.81 SYK (0.48) ATMCASP1SYKCTSKCTSL
SCHEMBL144787 0.80 ATM (0.42) ATMTRPM8SYKCYP3A4CYP2C9
SCHEMBL25401074 0.79 ATM (0.47) ATMTRPM8SYKCTSKCTSL
SCHEMBL261847 0.79 SYK (0.48) ATMCASP1SYKCTSKCTSL
SCHEMBL25401078 0.79 ATM (0.47) ATMTRPM8SYKCTSKCTSL
SCHEMBL19859590 0.78 ATM (0.56) ATMCASP1TRPM8CTSKCTSL
SCHEMBL9749127 0.78 ATM (0.56) ATMCASP1TRPM8CTSKCTSL
SCHEMBL3202235 0.78 ATM (0.56) ATMCASP1TRPM8CTSKCTSL

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-8133908-B2 Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine GLAXO GROUP LIMITED (GB) 2012-03-13 US disclosed