SCHEMBL7338530

SCHEMBL7338530

CCOC(=O)N=C(NC(=O)OCC)Nc1cccc(C(=O)NCC(=O)NC2(Cl)C=C(Cl)C=C(CCC(=O)O)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
ITGB1 P05556 2/20 0.33
ITGA5 P08648 2/20 0.33
LMNA P02545 3/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGB5 P18084 1/20 0.31
ITGB6 P18564 1/20 0.31
ITGB8 P26012 1/20 0.31
ITGA8 P53708 1/20 0.31
CSNK1D P48730 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
SCHEMBL7338522 1.00 MAPT (0.34) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7346226 0.89 LMNA (0.35) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7343122 0.79 NAMPT (0.42) MAPTALDH1A1LMNAMAPK1
SCHEMBL7340484 0.77 ALDH1A1 (0.34) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7340476 0.77 ALDH1A1 (0.34) MAPTKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7348218 0.76 NAMPT (0.51) KMT2A
SCHEMBL7346389 0.74 MAPT (0.35) MAPTSMN1; SMN2ITGB1ITGA5ITGB3
SCHEMBL7367300 0.74 ITGB3 (0.51) ITGB1ITGA5ITGB3ITGAVITGB5
SCHEMBL7343261 0.73 ITGB3 (0.40) KMT2AMEN1ITGB1ITGA5ITGB3
SCHEMBL7345255 0.73 ITGB3 (0.53) ITGB1ITGA5ITGB3ITGAVITGB5

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-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed