SCHEMBL9716977

SCHEMBL9716977

C[Si](C)(C)c1ccc(C(=O)Cl)c([Si](C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
HPGD P15428 1/20 0.31
MAOB P27338 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
SCHEMBL9716881 0.81 ACHE (0.39) ACHEALDH1A1ALOX15HPGDMAOB
SCHEMBL9716853 0.79 ACHE (0.38) ACHEHPGD
SCHEMBL9411945 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15HPGD
SCHEMBL9716978 0.69 HPGD (0.46) ACHEALDH1A1ALOX15HPGD
SCHEMBL13318430 0.69 ESR1 (0.36) ACHE
SCHEMBL27502043 0.68 ACHE (0.41) ACHEALDH1A1HPGD
SCHEMBL12817310 0.67 ACHE (0.32) ACHE
SCHEMBL12816406 0.67 ACHE (0.32) ACHE
SCHEMBL9730784 0.67 RXRB (0.47) ACHEALDH1A1HPGD
SCHEMBL8345539 0.67 ALDH1A1 (0.52) ACHEALDH1A1ALOX15HPGDMAOB

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 3 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
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