SCHEMBL8760946

SCHEMBL8760946

CCOc1ccc([Si](C)(C)CCCc2cccc(C#N)c2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 9/20 0.36
MAPT P10636 8/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 9/20 0.33
HPGD P15428 9/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 5/20 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
SCHEMBL8759384 0.84 TSHR (0.35) ALDH1A1SMN1; SMN2TDP1L3MBTL1MAOB
SCHEMBL8760945 0.79 ALDH1A1 (0.34) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL8760430 0.76 CYP1A2 (0.41) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9799431 0.71 NQO1 (0.41) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9654087 0.68 NQO1 (0.48) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9618130 0.68 NQO1 (0.48) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6779563 0.67 LTA4H (0.51) MAPTKMT2AGAALMNAFFAR1
SCHEMBL11967122 0.65 TSHR (0.45) ALDH1A1L3MBTL1MAOBGAAAR
SCHEMBL30522129 0.65 FFAR1 (0.49) RXFP1ALDH1A1MAPTRAB9ANPC1
SCHEMBL20157368 0.65 TAAR1 (0.47) MAPTSMN1; SMN2NPSR1MAPK1

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-0543238-B1 3-Isoxazolylphenyl-compounds, their preparation and application BASF AG (DE) 1997-06-04 EP disclosed
US-5256666-A Pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
EP-0543238-A1 3-Isoxazolylphenyl-compounds, their preparation and application BASF Aktiengesellschaft (DE) 1993-05-26 EP disclosed