SCHEMBL8538312

SCHEMBL8538312

CCOc1ccc([Si](C)(C)CCCc2cccc(Oc3ccc(F)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.43
LTA4H P09960 1/20 0.41
CACNA1B Q00975 5/20 0.40
CETP P11597 1/20 0.38
SQLE Q14534 1/20 0.37
CYP1A2 P05177 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
MPO P05164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1H O95180 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN9A Q15858 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
SCHEMBL6779563 0.92 LTA4H (0.51) FDFT1LTA4HCETP
SCHEMBL7228238 0.80 FDFT1 (0.46) FDFT1TDP1KDM4ESMN1; SMN2
Silafluofen SCHEMBL27295 0.80 LTA4H (0.43) LTA4HL3MBTL1KDM4E
Silafluofen SCHEMBL8880052 0.80 LTA4H (0.43) LTA4HL3MBTL1KDM4E
SCHEMBL27259109 0.79 MAPK1 (0.40) FDFT1LTA4HCETPTDP1KDM4E
SCHEMBL9558315 0.77 FDFT1 (0.43) FDFT1LTA4HCACNA1BCETPCYP1A2
SCHEMBL10719626 0.77 FDFT1 (0.46) FDFT1
SCHEMBL10106190 0.76 FDFT1 (0.53) FDFT1LTA4HCETP
SCHEMBL10548124 0.76 FDFT1 (0.42) FDFT1LTA4HCACNA1BCETPCYP1A2
SCHEMBL9514185 0.75 P2RX7 (0.39) CYP1A2CYP2D6CYP2C19L3MBTL1KDM4E

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
EP-0415568-A2 Insecticidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 EP claimed
US-5780389-A FUNGICIDES, INSECTICIDES, HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-07-14 US disclosed