SCHEMBL1006401

SCHEMBL1006401

COC(=O)C1CC2=C(CC(C)C2=O)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.36
ANPEP P15144 3/20 0.36
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.31
P2RX7 Q99572 1/20 0.30
RECQL P46063 1/20 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
SCHEMBL1004861 0.83 PTPN1 (0.35) MMP2ANPEPBRD4KDM4ETSHR
SCHEMBL1004592 0.78 MMP2 (0.37) MMP2ANPEPBRD4KMT2ACYP1A2
SCHEMBL1007354 0.77 FKBP1A (0.39) MMP2ANPEPTSHRKMT2AALDH1A1
SCHEMBL17448552 0.70 MMP2 (0.37) MMP2ANPEPBRD4KDM4ETSHR
SCHEMBL13738649 0.70 MMP2 (0.37) MMP2ANPEPBRD4KDM4ETSHR
SCHEMBL29388224 0.65 KMT2A (0.49) MMP2ANPEPBRD4TSHRKMT2A
SCHEMBL17136885 0.65 MMP2 (0.41) MMP2ANPEPBRD4KDM4ETSHR
SCHEMBL13739598 0.65 KMT2A (0.49) MMP2ANPEPBRD4TSHRKMT2A
SCHEMBL17136874 0.64 ACE (0.46) MMP2ANPEPBRD4KMT2ACYP1A2
SCHEMBL17442799 0.63 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