SCHEMBL9115641

SCHEMBL9115641

COc1cc(C(=O)NC(=O)[C@@H](N)CCC(=O)O)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.41
DHFR P00374 2/20 0.41
P2RY12 Q9H244 2/20 0.39
LTA4H P09960 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGFR P43088 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3439628 0.86 NAMPT (0.44) ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL23175206 0.85 BACE1 (0.46) MMP2
SCHEMBL1404234 0.85 LTA4H (0.42) LTA4HALDH1A1LMNAKDM4ERXFP1
SCHEMBL4609875 0.84 LARS1 (0.43) CYP1A2CYP3A4CYP2D6MAPTPKM
SCHEMBL731316 0.79 METAP2 (0.50) DHFRLTA4H
SCHEMBL1478261 0.77 LMNA (0.47) LTA4HALDH1A1LMNAKDM4EMAPT
SCHEMBL11116252 0.74 HDAC8 (0.48) LTA4HALDH1A1KDM4E
SCHEMBL16061398 0.74 REN (0.44) P2RY12
SCHEMBL9115646 0.73 TNIK (0.43) LTA4HALDH1A1LMNAKDM4ERXFP1
SCHEMBL6819797 0.71 MAPT (0.50) LMNARXFP1CYP1A2CYP3A4CYP2D6

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-1995012679-A1 ANTI-HELMINTH VACCINES BIOTECHNOLOGY AND BIOLOGICAL SCIENCES RESEARCH COUNCIL (GB) 1995-05-11 WO disclosed