SCHEMBL8032792

SCHEMBL8032792

CCC[Si]1(c2ccc(C)cc2)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8021126 0.87 HRH3 (0.38) HRH3LMNANPC1HTT
SCHEMBL8026466 0.84 TP53 (0.30)
SCHEMBL8021390 0.83 ACHE (0.35) HRH3ACHETDP1LMNAMEN1
SCHEMBL8031104 0.82 MGLL (0.32)
SCHEMBL17105813 0.79 ACHE (0.35) HRH3ACHETDP1
SCHEMBL17105816 0.74 ACHE (0.38) ACHETDP1
SCHEMBL7766044 0.73
SCHEMBL7769639 0.72
SCHEMBL8031171 0.72 PTGS2 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL8455937 0.71 DNM1 (0.34) MEN1NPC1HTTKMT2ASMN1; SMN2

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-0682031-B1 Silacyclohexane-based carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound SHINETSU CHEMICAL CO (JP) 2000-03-22 EP disclosed
US-5527490-A Silacyclohexane carbaldehyde compounds and processes for preparing silacyclohexane-based liquid crystal compounds from the carbaldehyde compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0682031-A1 Silacyclohexane carbaldehyde compounds and processes for preparing silycyclohexane-based liquid crystal compounds from the carbaldehyde compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-11-15 EP disclosed