SCHEMBL9716853

SCHEMBL9716853

C[Si](C)(C)c1ccc(C(=O)OOC(=O)c2ccc([Si](C)(C)C)cc2[Si](C)(C)C)c([Si](C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9716901 0.81 ACHE (0.38) ACHECA12CA1CA2CA7
SCHEMBL9716977 0.79 ACHE (0.39) ACHEHPGD
SCHEMBL10627018 0.79 ALDH1A1 (0.41) HPGD
SCHEMBL9716919 0.75 LMNA (0.41) CA1CA2CA9
SCHEMBL9279020 0.70 LMNA (0.50) ACHECA12CA1CA2CA7
SCHEMBL3844305 0.67 NPC1 (0.49) CA12CA2CA9HPGD
SCHEMBL13318430 0.67 ESR1 (0.36) ACHE
SCHEMBL27502043 0.67 ACHE (0.41) ACHEHPGD
SCHEMBL6467115 0.67 CYP1A2 (0.34) CA12CA1CA2CA7CA9
SCHEMBL9730784 0.65 RXRB (0.47) ACHEHPGD

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 8 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 claimed
US-4755554-A Silicone rubber composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-05 US claimed
EP-0239961-A2 A silicone rubber composition Shin-Etsu Chemical Co., Ltd. (JP) 1987-10-07 EP claimed
JP-62232458-A None JP disclosed
EP-0239961-B1 A SILICONE RUBBER COMPOSITION Shin-Etsu Chemical Co., Ltd. (JP) 1992-10-21 EP disclosed
US-4755554-A Silicone rubber composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-05 US disclosed
JP-S62232458-A SILICONE COMPOSITION SHIN ETSU CHEM CO LTD 1987-10-12 JP disclosed
EP-0239961-A2 A silicone rubber composition Shin-Etsu Chemical Co., Ltd. (JP) 1987-10-07 EP disclosed