SCHEMBL7328856

SCHEMBL7328856

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN(C)C(=O)C=Cc1ccc(NC(=N)N)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
FPR2 P25090 2/20 0.38
ATM Q13315 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
MMP2 P08253 1/20 0.35
CTSD P07339 1/20 0.35
ALOX15 P16050 1/20 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
Trifluoroacetic Acid SCHEMBL9296670 0.95 GAA (0.39) GAAMAPTMEN1KMT2AFPR2
Trifluoroacetic Acid SCHEMBL7319506 0.88 MAPT (0.40) GAAMAPTMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL7330577 0.83 ITGB1 (0.40) GAAMAPTMEN1KMT2AFPR2
Trifluoroacetic Acid SCHEMBL7327884 0.79 NPY4R (0.41) GAAMAPTMEN1KMT2AMMP2
SCHEMBL7325092 0.79 MMP2 (0.41) MEN1KMT2AFPR2ATMMMP2
SCHEMBL7316571 0.79 MMP2 (0.44) GAAMAPTMEN1KMT2AFPR2
SCHEMBL7326943 0.79 MMP2 (0.44) GAAMAPTMEN1KMT2AFPR2
SCHEMBL7326842 0.79 MMP2 (0.44) GAAMAPTMEN1KMT2AFPR2
SCHEMBL7326730 0.78 ITGB3 (0.41) GAAMAPTFPR2
SCHEMBL7323827 0.75 ENPEP (0.42) MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO claimed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO disclosed