SCHEMBL9268180

SCHEMBL9268180

CCCC(C)Oc1ccc(OCCOc2nccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.37
SLC2A1 P11166 1/20 0.35
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LTA4H P09960 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL9270136 0.92 SLC2A1 (0.42) PLA2G4ASLC2A1CYP2D6CYP3A4MAPT
SCHEMBL9266353 0.85 LMNA (0.36) PLA2G4ACYP3A4LTA4HLMNA
SCHEMBL9273866 0.84 ALDH1A1 (0.41) CYP2D6CYP3A4MAPTKMT2ACYP1A2
SCHEMBL9269435 0.82 ALDH1A1 (0.36) PLA2G4ACYP2D6CYP3A4CYP1A2CYP19A1
SCHEMBL28873404 0.81 ALDH1A1 (0.34) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL9273350 0.77 GCK (0.36) KMT2ALMNA
SCHEMBL9268051 0.75 GCK (0.37) CYP2D6CYP3A4KMT2ACYP2C9CYP2C19
SCHEMBL9269694 0.75 FBP1 (0.36) PLA2G4ACYP2D6CYP3A4MAPTLTA4H
SCHEMBL9270576 0.74 CYP2D6 (0.44) SLC2A1CYP2D6CYP3A4MAPTCYP1A2
SCHEMBL4911969 0.74 L3MBTL1 (0.49) PLA2G4ACYP2D6CYP3A4MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389651-A Nitrogen-containing heterocyclyl-oxy and -thio compounds useful as pesticides SANDOZ LTD. (CH) 1995-02-14 US disclosed