SCHEMBL19869366

SCHEMBL19869366

CCCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCCCCC(=O)C(C)(C)C)c4ccc(C)cc4C3(C)C)=C2Oc2ccc(S(=O)(=O)O)cc2)C(C)(C)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.49
FOLR1 P15328 6/20 0.47
HTR1A P08908 1/20 0.45
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
HRH2 P25021 5/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PRMT5 O14744 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT1 Q99873 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL19627547 0.88 FOLH1 (0.50) FOLH1FOLR1HTR1AMMP2MMP9
SCHEMBL25931741 0.88 FOLH1 (0.57) FOLH1FOLR1HTR1AMMP2MMP9
SCHEMBL18874921 0.87 FOLH1 (0.50) FOLH1FOLR1HTR1AMMP2MMP9
SCHEMBL10026006 0.87 FOLH1 (0.49) FOLH1FOLR1HTR1AMMP2MMP9
SCHEMBL26316502 0.86 FOLH1 (0.52) FOLH1FOLR1HTR1APRMT5CARM1
SCHEMBL14703625 0.86 FOLH1 (0.56) FOLH1FOLR1HTR1AHRH2HRH4
SCHEMBL14703623 0.86 FOLH1 (0.52) FOLH1FOLR1HTR1AHRH2HRH4
SCHEMBL17356823 0.85 FOLH1 (0.53) FOLH1FOLR1HTR1AHRH2HRH4
SCHEMBL14703613 0.85 FOLR1 (0.55) FOLH1FOLR1HTR1AMMP2MMP9
SCHEMBL17546355 0.85 FOLR1 (0.52) FOLH1FOLR1HTR1AMMP2MMP9

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-20180045738-A1 METHODS OF USE FOR INTERMEDIATE FILAMENT PROTEIN PROBES UNIVERSITY OF CONNECTICUT 2018-02-15 US disclosed