SCHEMBL7363938

SCHEMBL7363938

CCC(C(=O)O)N(CCCCc1ccc(NC=NN)cc1)c1cccc(C=NN)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
PPARG P37231 2/20 0.32
MMP3 P08254 1/20 0.31
PPARA Q07869 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL7362906 0.88 PPARG (0.34) LPAR1ITGB1ITGA4PPARGPPARA
SCHEMBL7365143 0.88 MMP12 (0.37) LPAR1ITGB1ITGA4PPARGPPARA
SCHEMBL7361146 0.82 F2 (0.40) MMP3CA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL7361555 0.81 F2 (0.39) MMP3CA1CA2ALDH1A1SPHK1
SCHEMBL7363933 0.77 F2 (0.36) CA1CA2ALDH1A1
SCHEMBL7361085 0.75 PPARG (0.36) ITGB1PPARGPPARACA1CA2
SCHEMBL7367192 0.72 F10 (0.42) CA1CA2
SCHEMBL7368444 0.72 FFAR1 (0.41) PPARGPPARA
Trifluoroacetic Acid SCHEMBL7458550 0.72 F2 (0.41) ALDH1A1
SCHEMBL7360137 0.71 CA1 (0.36) PPARGCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP claimed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP claimed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO claimed
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed