SCHEMBL4200362

SCHEMBL4200362

Cn1c(C(=O)O)cc2cc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)ccc21.[KH]

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 7/20 0.61
SRC P12931 1/20 0.48
APOB P04114 5/20 0.47
S1PR1 P21453 7/20 0.46
S1PR3 Q99500 5/20 0.46
TRPV4 Q9HBA0 1/20 0.43
SORT1 Q99523 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Potassium SCHEMBL4200370 0.98 MTTP (0.61) MTTPSRCAPOBS1PR1S1PR3
Potassium Ion SCHEMBL4200364 0.91 MTTP (0.60) MTTPSRCAPOBS1PR1S1PR3
SCHEMBL4200245 0.90 MTTP (0.74) MTTPAPOBKDM4EALDH1A1
SCHEMBL3165562 0.89 MTTP (0.75) MTTPAPOBKDM4EALDH1A1
Potassium SCHEMBL4200253 0.89 MTTP (0.74) MTTPAPOBKDM4EALDH1A1
Water SCHEMBL4196426 0.89 MTTP (0.74) MTTPAPOBKDM4EALDH1A1
SCHEMBL4200399 0.89 MTTP (0.74) MTTPAPOBKDM4EALDH1A1
Water SCHEMBL4196421 0.89 MTTP (0.74) MTTPAPOBKDM4EALDH1A1
SCHEMBL4200403 0.89 MTTP (0.74) MTTPAPOBKDM4EALDH1A1
Potassium Ion SCHEMBL4200248 0.80 MTTP (0.70) MTTPAPOBKDM4EALDH1A1

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-7482368-B2 Triamide-substituted heterobicyclic compounds PFIZER INC (US) 2009-01-27 US disclosed