SCHEMBL9315802

SCHEMBL9315802

C=Cc1cccc(OCCC[Si](C)(C)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
FURIN P09958 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
CHRNA7 P36544 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 3/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL9315952 0.91 TLR4 (0.41) TLR4TLR2FURINTDP1TP53
SCHEMBL9315472 0.88 FURIN (0.41) TLR4TLR2FURINTDP1TP53
SCHEMBL14369375 0.88 TLR4 (0.43) TLR4TLR2FURINTDP1TP53
SCHEMBL9315501 0.84 TLR4 (0.40) TLR4TLR2FURINTDP1TP53
SCHEMBL8776506 0.84 TLR4 (0.40) TLR4TLR2FURINTDP1TP53
SCHEMBL14369376 0.83 TDP1 (0.42) TLR4TLR2FURINTDP1TP53
SCHEMBL25662303 0.83 TLR4 (0.39) TLR4TLR2FURINTDP1TP53
SCHEMBL14369378 0.82 TLR4 (0.44) TLR4TLR2FURINTDP1TP53
SCHEMBL9315977 0.82 NPC1 (0.43) TLR4TLR2FURINTDP1TP53
SCHEMBL9316433 0.82 TLR4 (0.41) TLR4TLR2FURINTDP1TP53

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-5342983-A Polymer reforming agents SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-08-30 US disclosed