SCHEMBL215602

SCHEMBL215602

CC(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
ALOX12 P18054 1/20 0.44
CDK5 Q00535 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
SCHEMBL214457 0.79 LMNA (0.53) CYP1A2CYP2D6RAB9ANPC1HPGD
SCHEMBL215432 0.78 RBBP9 (0.59) CYP1A2CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL213062 0.78 RAB9A (0.51) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL214648 0.77 NPC1 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL214062 0.76 NOS2 (0.40) CYP2C9CYP2C19CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL213215 0.72 SMN1; SMN2 (0.56) CYP1A2CYP2C9CYP2C19CYP3A4RAB9A
SCHEMBL214914 0.72 NOS2 (0.37) SMN1; SMN2ALDH1A1HTTTDP1LMNA
SCHEMBL214915 0.72 NOS2 (0.37) SMN1; SMN2ALDH1A1HTTTDP1LMNA
SCHEMBL214468 0.71 NPC1 (0.64) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL13885034 0.71 NPC1 (0.64) CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US claimed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US claimed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US disclosed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US disclosed