SCHEMBL7318679

SCHEMBL7318679

N=C(N)NCCCCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.48
ITGA2B P08514 4/20 0.48
ATM Q13315 1/20 0.44
PTPN1 P18031 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CHRNA1 P02708 4/20 0.41
CHRNG P07510 4/20 0.41
CHRNB1 P11230 4/20 0.41
CHRND Q07001 4/20 0.41
ITGAV P06756 2/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 1/20 0.40
MDM2 Q00987 1/20 0.40
GRIA1 P42261 1/20 0.39
GRB2 P62993 2/20 0.39

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
SCHEMBL7352151 0.87 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL8408579 0.84 ITGB3 (0.46) ITGB3ITGA2BPTPN1GRB2
SCHEMBL7343916 0.82 ITGB3 (0.59) ITGB3ITGA2BPTPN1
SCHEMBL7348381 0.82 ITGB3 (0.59) ITGB3ITGA2BPTPN1
SCHEMBL7314892 0.82 ITGB3 (0.59) ITGB3ITGA2BPTPN1
SCHEMBL7378604 0.82 ITGB3 (0.59) ITGB3ITGA2BPTPN1
SCHEMBL9505510 0.79 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL10444991 0.79 ITGB3 (0.48) ITGB3ITGA2BPTPN1CHRNA1CHRNG
SCHEMBL13476852 0.78 MMP1 (0.52)
SCHEMBL7321414 0.78 EPHX2 (0.54) ITGB3ITGA2BPTPN1

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