SCHEMBL9403378

SCHEMBL9403378

C[Si](C)(C)CCCCCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
HSD17B10 Q99714 1/20 0.69
FAAH O00519 1/20 0.45
CYP2A6 P11509 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
CYP19A1 P11511 4/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
RARB P10826 4/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL29904577 0.86 TSHR (0.82) TSHRHSD17B10FAAHCYP2A6HRH3
SCHEMBL17474257 0.86 TSHR (0.82) TSHRHSD17B10FAAHCYP2A6HRH3
SCHEMBL16603419 0.86 TSHR (0.82) TSHRHSD17B10FAAHCYP2A6HRH3
SCHEMBL1325933 0.81 HSD17B10 (1.00) TSHRHSD17B10CYP2A6HRH3MAPT
SCHEMBL1894341 0.81 HSD17B10 (1.00) TSHRHSD17B10CYP2A6HRH3MAPT
SCHEMBL25181545 0.81 HSD17B10 (1.00) TSHRHSD17B10CYP2A6HRH3MAPT
SCHEMBL1896035 0.81 HSD17B10 (1.00) TSHRHSD17B10CYP2A6HRH3MAPT
SCHEMBL25187484 0.81 HSD17B10 (1.00) TSHRHSD17B10CYP2A6HRH3MAPT
SCHEMBL1890052 0.81 HSD17B10 (1.00) TSHRHSD17B10CYP2A6HRH3MAPT
SCHEMBL25190474 0.81 HSD17B10 (1.00) TSHRHSD17B10CYP2A6HRH3MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6049080-A None JP disclosed
JP-H0649080-A CYANOBIPHENYL DERIVATIVE AND LIQUID CRYSTAL COMPOSITION FOR DISPLAY COMPRISING THE SAME SHIN ETSU CHEM CO LTD 1994-02-22 JP disclosed