SCHEMBL30873579

SCHEMBL30873579

CCCCC[C@@H](CC(=O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.48
MMP1 P03956 4/20 0.48
MMP3 P08254 4/20 0.48
CETP P11597 3/20 0.48
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43

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
SCHEMBL4969361 0.99 MMP2 (0.50) MMP2MMP1MMP3CETPCNR2
SCHEMBL1358861 0.99 MMP2 (0.50) MMP2MMP1MMP3CETPCNR2
SCHEMBL29893945 0.99 MMP2 (0.50) MMP2MMP1MMP3CETPCNR2
SCHEMBL1359364 0.99 MMP2 (0.50) MMP2MMP1MMP3CETPCNR2
SCHEMBL1358862 0.99 MMP2 (0.50) MMP2MMP1MMP3CETPCNR2
SCHEMBL1358863 0.99 MMP2 (0.50) MMP2MMP1MMP3CETPCNR2
SCHEMBL1359365 0.99 MMP2 (0.50) MMP2MMP1MMP3CETPCNR2
SCHEMBL1358859 0.99 MMP2 (0.50) MMP2MMP1MMP3CETPCNR2
Hydrochloric Acid SCHEMBL2679110 0.97 MMP2 (0.49) MMP2MMP1MMP3CETP
Hydrochloric Acid SCHEMBL2679113 0.97 MMP2 (0.49) MMP2MMP1MMP3CETP

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
CN-115010749-B Preparation process of phosphatidic acid 沈阳金久奇科技有限公司 2024-04-26 CN disclosed