SCHEMBL8699546

SCHEMBL8699546

SCCCCC1CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
CYP1A2 P05177 1/20 0.54
EPHX1 P07099 1/20 0.39
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4A O75164 1/20 0.37
SLC18A3 Q16572 1/20 0.36
MAPT P10636 1/20 0.36
CEL P19835 1/20 0.36

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
SCHEMBL330126 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL330319 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL3026625 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL918746 0.97 SIGMAR1 (0.52) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL12882766 0.92 CYP1A2 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL920351 0.92
SCHEMBL330492 0.92 CYP1A2 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL919582 0.90 SIGMAR1 (0.50) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL919426 0.89
SCHEMBL330719 0.86

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
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed