SCHEMBL7360682

SCHEMBL7360682

CC(C)[C@H]1C(=O)N[C@@H]1C=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL7360679 1.00 ALDH1A1 (0.40) ALDH1A1MAPTPOLBHPGDPTPN1
SCHEMBL9338951 0.78 MAPT (0.42) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL9338948 0.78 MAPT (0.42) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL9338958 0.78 MAPT (0.42) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL9338961 0.78 MAPT (0.42) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL9338944 0.78 MAPT (0.42) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL15828564 0.78 MAPT (0.34) ALDH1A1MAPTPOLBHPGDPTPN1
SCHEMBL5963254 0.75 MAPT (0.42) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL5963253 0.75 MAPT (0.42) ALDH1A1MAPTPOLBHPGDMEN1
SCHEMBL9789117 0.74 MAPT (0.43) ALDH1A1MAPTPOLBHPGDMEN1

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-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed
EP-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed
WO-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed