SCHEMBL1004592

SCHEMBL1004592

COC(=O)C1CC2=C(CCC2=O)N1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.37
ANPEP P15144 5/20 0.37
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
P2RX7 Q99572 1/20 0.31
CYP3A4 P08684 2/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL1003643 0.83 PTPN1 (0.38) MMP2ANPEPBRD4P2RX7CYP3A4
SCHEMBL1006401 0.78 MMP2 (0.36) MMP2ANPEPKMT2ABRD4CYP1A2
SCHEMBL1007354 0.70 FKBP1A (0.39) MMP2ANPEPKMT2AMAPT
SCHEMBL13739598 0.69 KMT2A (0.49) MMP2ANPEPKMT2ABRD4CYP1A2
SCHEMBL29388224 0.69 KMT2A (0.49) MMP2ANPEPKMT2ABRD4CYP1A2
SCHEMBL17136885 0.66 MMP2 (0.41) MMP2ANPEPKMT2ABRD4CYP1A2
SCHEMBL13738649 0.65 MMP2 (0.37) MMP2ANPEPKMT2ABRD4CYP1A2
SCHEMBL17136874 0.65 ACE (0.46) MMP2ANPEPKMT2ABRD4CYP1A2
SCHEMBL17448552 0.65 MMP2 (0.37) MMP2ANPEPKMT2ABRD4CYP1A2
SCHEMBL17442799 0.64 DRD2 (0.55)

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-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed