SCHEMBL7324926

SCHEMBL7324926

N=C(N)Nc1ccc(C=CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.51
PPARG P37231 1/20 0.51
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
BACE1 P56817 2/20 0.45
EED O75530 1/20 0.44
FPR2 P25090 6/20 0.43
MME P08473 2/20 0.43
CAPN1 P07384 1/20 0.41

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
SCHEMBL7322068 0.93 PPARG (0.47) NOS2PPARGNOS3NOS1BACE1
SCHEMBL7321906 0.88 MMP2 (0.43) PPARG
SCHEMBL7318683 0.88 MMP2 (0.43) PPARG
SCHEMBL7321638 0.86 PPARG (0.47) NOS2PPARGNOS3NOS1EED
SCHEMBL7324333 0.85 NOS3 (0.45) NOS2NOS3NOS1FPR2
Trifluoroacetic Acid SCHEMBL7327858 0.85 MMP2 (0.41) NOS2PPARGNOS3NOS1
SCHEMBL7329586 0.84 HDAC3 (0.60)
SCHEMBL7328374 0.84 SMN1; SMN2 (0.46) NOS2NOS3NOS1
SCHEMBL7330015 0.84 MMP2 (0.42) PPARG
SCHEMBL7325178 0.83 ITGB3 (0.53) FPR2MME

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 1 patent. 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 disclosed