SCHEMBL7318647

SCHEMBL7318647

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CCCCN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
EPHX2 P34913 5/20 0.38
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLG P00747 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
FURIN P09958 1/20 0.37
FOLH1 Q04609 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
Trifluoroacetic Acid SCHEMBL7313048 0.94 ITGB1 (0.43) NMT2NMT1SLC6A5EPHX2FURIN
SCHEMBL7441035 0.90 NMT2 (0.46) NMT2NMT1SLC6A5CYP2D6NFKB1
SCHEMBL7435642 0.90 NMT2 (0.46) NMT2NMT1SLC6A5CYP2D6NFKB1
SCHEMBL7434798 0.90 NMT2 (0.46) NMT2NMT1SLC6A5CYP2D6NFKB1
SCHEMBL9439741 0.90 NMT2 (0.46) NMT2NMT1SLC6A5CYP2D6NFKB1
SCHEMBL7435605 0.90 NMT2 (0.46) NMT2NMT1SLC6A5CYP2D6NFKB1
SCHEMBL31164832 0.87 EPHX2 (0.45) NMT2NMT1SLC6A5CYP2D6NFKB1
SCHEMBL7444107 0.85 EPHX2 (0.43) EPHX2
Hydrochloric Acid SCHEMBL7321717 0.85 EPHX2 (0.41) EPHX2ITGB1
SCHEMBL7449109 0.85 EPHX2 (0.43) EPHX2

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-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP claimed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP claimed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO claimed
US-4952562-A TREATMENT OF CARDIOVASCULAR DISORDERS RORER PHARMACEUTICAL CORPORATION (US) 1990-08-28 US claimed