SCHEMBL9716898

SCHEMBL9716898

C=C[Si](C)(C)c1ccc(C(=O)OOC(=O)c2ccc([Si](C)(C)C=C)cc2C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
NPC1 O15118 1/20 0.31
TNF P01375 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
CDK5 Q00535 1/20 0.31
KLF5 Q13887 1/20 0.31
CDK5R1 Q15078 1/20 0.31
NOD1 Q9Y239 1/20 0.31
PRF1 P14222 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL9716856 0.82
SCHEMBL10622539 0.82 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL9716901 0.82 ACHE (0.38) NPC1TNFPKMRAB9ACDK5
SCHEMBL7634520 0.73 NR1H2 (0.41) NR1H2NR1H3HPGD
SCHEMBL7635129 0.73 NR1H2 (0.41) NR1H2NR1H3HPGD
SCHEMBL7631139 0.71 NR1H2 (0.42) NR1H2NR1H3HPGD
SCHEMBL124710 0.70 KMT2A (0.49) NPC1TNFPKMRAB9ACDK5
SCHEMBL7631205 0.70 NR1H2 (0.39) NR1H2NR1H3HPGD
SCHEMBL7634060 0.69 NR1H2 (0.38) NR1H2NR1H3RAB9AHPGD
SCHEMBL7633886 0.69 NR1H2 (0.41) NR1H2NR1H3HPGD

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
EP-0239961-B1 A SILICONE RUBBER COMPOSITION Shin-Etsu Chemical Co., Ltd. (JP) 1992-10-21 EP disclosed
EP-0278731-A2 A silicone rubber composition Shin-Etsu Chemical Co., Ltd. (JP) 1988-08-17 EP disclosed
US-4755554-A Silicone rubber composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-05 US disclosed
EP-0239961-A2 A silicone rubber composition Shin-Etsu Chemical Co., Ltd. (JP) 1987-10-07 EP disclosed