SCHEMBL7320045

SCHEMBL7320045

CCOC(=O)CC(C=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.48
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PPID Q08752 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
SRR Q9GZT4 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.41
F10 P00742 1/20 0.41
MME P08473 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
SCHEMBL7650084 0.87 MMP8 (0.47) MMP8TSHRALDH1A1PPIDMEN1
SCHEMBL27568984 0.86 SLC15A1 (0.53) ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL902140 0.84 ABCB1 (0.47) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL18065659 0.81 MMP8 (0.53) MMP8TSHRALDH1A1PPIDMEN1
SCHEMBL7328940 0.80 CYP1A2 (0.43) MEN1KMT2ANPC1POLBMME
SCHEMBL12268225 0.80 TRPA1 (0.53) MMP8TSHRALDH1A1PPIDMEN1
SCHEMBL12446348 0.80 MMP8 (0.51) MMP8TSHRALDH1A1PPIDMEN1
SCHEMBL5837006 0.80 TRPA1 (0.53) MMP8TSHRALDH1A1PPIDMEN1
SCHEMBL31448302 0.80 TRPA1 (0.53) MMP8TSHRALDH1A1PPIDMEN1
SCHEMBL1915970 0.79 CPA3 (0.56) LTA4HMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079648-A Preparation contains the method for the pharmaceutical composition of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-12-22 CN disclosed
CN-1048039-A Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1990-12-26 CN disclosed
EP-0327877-A2 Peptide-renininhibitors MERCK PATENT GmbH (DE) 1989-08-16 EP disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed