SCHEMBL9716901

SCHEMBL9716901

Cc1cc([Si](C)(C)C)ccc1C(=O)OOC(=O)c1ccc([Si](C)(C)C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
HPGD P15428 2/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
TNF P01375 1/20 0.34
PKM P14618 1/20 0.34
CDK5 Q00535 1/20 0.34
KLF5 Q13887 1/20 0.34
CDK5R1 Q15078 1/20 0.34
NOD1 Q9Y239 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL9716898 0.82 NR1H2 (0.37) HPGDRAB9ANPC1TNFPKM
SCHEMBL5012568 0.82 ACHE (0.33) ACHEHPGDRAB9ANPC1TNF
SCHEMBL9716853 0.81 ACHE (0.38) ACHEHPGDCA12CA1CA2
SCHEMBL9726813 0.81 SMN1; SMN2 (0.42) ACHEHPGDRAB9ANPC1KMT2A
SCHEMBL9730784 0.81 RXRB (0.47) ACHEHPGDKDM4EALDH1A1HSD17B10
SCHEMBL9716881 0.79 ACHE (0.39) ACHEHPGDRAB9ANPC1MEN1
SCHEMBL10627018 0.79 ALDH1A1 (0.41) HPGDRAB9ANPC1PKMMEN1
SCHEMBL124710 0.76 KMT2A (0.49) RAB9ANPC1TNFPKMCDK5
SCHEMBL6464548 0.75 CYP3A4 (0.36) ACHEHPGDMEN1KMT2AALDH1A1
SCHEMBL9279020 0.74 LMNA (0.50) ACHEHPGDMEN1KMT2AALDH1A1

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 9 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
EP-0278731-A2 A silicone rubber composition Shin-Etsu Chemical Co., Ltd. (JP) 1988-08-17 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
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
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