SCHEMBL6234350

SCHEMBL6234350

CCCCOc1c(/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.36
CHRM1 P11229 1/20 0.35
ADORA1 P30542 3/20 0.35
FOLH1 Q04609 2/20 0.34
PLA2G4B P0C869 2/20 0.32
HRH2 P25021 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT5 O14744 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
PTPN1 P18031 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL6233724 1.00 S1PR3 (0.36) S1PR3CHRM1ADORA1FOLH1PLA2G4B
SCHEMBL5009155 0.86 ALDH1A1 (0.38) FOLH1PLA2G4BMEN1KMT2AMAPT
SCHEMBL18789738 0.81 ADORA1 (0.35) CHRM1ADORA1FOLH1PTPN1MAPT
SCHEMBL19815097 0.78 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1
SCHEMBL7750523 0.77 ADORA1 (0.34) CHRM1ADORA1FOLH1PRMT5CARM1
SCHEMBL7750517 0.77 ADORA1 (0.34) CHRM1ADORA1FOLH1PRMT5CARM1
SCHEMBL7750522 0.77 ADORA1 (0.34) CHRM1ADORA1FOLH1PRMT5CARM1
SCHEMBL8009972 0.76 ADORA1 (0.33) CHRM1ADORA1FOLH1PTPN1OPRM1
SCHEMBL8009961 0.76 ADORA1 (0.33) CHRM1ADORA1FOLH1PTPN1OPRM1
SCHEMBL5003030 0.76 ADORA1 (0.33) CHRM1ADORA1FOLH1PTPN1OPRM1

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
EP-1230549-B1 METHOD FOR SOLUBILISING OPTICAL MARKERS CHROMEON GMBH (DE) 2005-05-11 EP disclosed