SCHEMBL15439680

SCHEMBL15439680

CC(=O)C(=NN([Si](C)(C)C)[Si](C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
GAA P10253 2/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
DAO P14920 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL15439679 1.00 CES2 (0.44) CES2CES1GAACYP2C19MAPT
SCHEMBL16492442 0.87 GAA (0.36) CES2CES1GAACYP2C19MAPT
SCHEMBL16492441 0.87 GAA (0.36) CES2CES1GAACYP2C19MAPT
SCHEMBL15438788 0.86 CES2 (0.45) CES2CES1GAACYP2C19MAPT
SCHEMBL15438789 0.86 CES2 (0.45) CES2CES1GAACYP2C19MAPT
SCHEMBL15440554 0.84 CES2 (0.42) CES2CES1GAACYP2C19MAPT
SCHEMBL15440555 0.84 CES2 (0.42) CES2CES1GAACYP2C19MAPT
SCHEMBL15439171 0.81 CES2 (0.40) CES2CES1GAACYP2C19MAPT
SCHEMBL15439172 0.81 CES2 (0.40) CES2CES1GAACYP2C19MAPT
SCHEMBL15439969 0.79 CES2 (0.48) CES2CES1GAACYP2C19MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115231-B2 Polymers functionalized with protected hydrazone compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2015-08-25 US disclosed
US-20140031488-A1 Polymers Functionalized With Protected Hydrazone Compounds Containing An Acyl Group BRIDGESTONE CORPORATION (JP) 2014-01-30 US disclosed