SCHEMBL7445645

SCHEMBL7445645

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C=CCCCCCCCNC(=N)N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
CTSB P07858 2/20 0.34

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
SCHEMBL7434185 1.00 EPHX2 (0.40) EPHX2SMN1; SMN2CTSB
SCHEMBL7448695 1.00 EPHX2 (0.40) EPHX2SMN1; SMN2CTSB
Trifluoroacetic Acid SCHEMBL9614812 0.94 ITGB1 (0.37) EPHX2SMN1; SMN2CTSB
SCHEMBL7449063 0.85 GNPAT (0.42) EPHX2
SCHEMBL7445683 0.82 EPHX2 (0.46) EPHX2SMN1; SMN2
SCHEMBL9439808 0.82 EPHX2 (0.46) EPHX2SMN1; SMN2
SCHEMBL7442799 0.82 EPHX2 (0.46) EPHX2SMN1; SMN2
SCHEMBL7445001 0.82 EPHX2 (0.46) EPHX2SMN1; SMN2
SCHEMBL7438925 0.82 EPHX2 (0.46) EPHX2SMN1; SMN2
SCHEMBL7442006 0.82 EPHX2 (0.46) EPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed