SCHEMBL9716919

SCHEMBL9716919

C[Si](C)(C)c1ccccc1C(=O)OOC(=O)c1ccccc1[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 8/20 0.41
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
CFTR P13569 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 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
SCHEMBL27495940 0.84 TSHR (0.38) LMNATSHRALDH1A1HSD17B10CFTR
SCHEMBL6467115 0.82 CYP1A2 (0.34) LMNAF2TSHRALDH1A1HSD17B10
SCHEMBL20510174 0.80 ALDH1A1 (0.45) LMNATSHRALDH1A1KDM4EALOX15
SCHEMBL1897333 0.80 CYP3A4 (0.40) LMNATSHRALDH1A1HSD17B10CFTR
SCHEMBL106081 0.78 ALDH1A1 (0.56) TSHRALDH1A1HSD17B10KDM4EPOLB
SCHEMBL8861756 0.78 MAPK1 (0.42) LMNAALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL9411945 0.77 ALDH1A1 (0.48) LMNATSHRALDH1A1KDM4EPOLB
SCHEMBL7738392 0.77 ALDH1A1 (0.50) LMNATSHRALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL9411948 0.77 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10KDM4EPOLB
SCHEMBL9716853 0.75 ACHE (0.38) CA1CA2CA9

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