SCHEMBL25614400

SCHEMBL25614400

CCN(CCC(=O)O)C(=O)OCOP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
LMNA P02545 1/20 0.32
MVD P53602 1/20 0.32
LPAR6 P43657 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR4 Q99677 1/20 0.30
LPAR5 Q9H1C0 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
TPI1 P60174 1/20 0.30
ENPP2 Q13822 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
SCHEMBL25762731 0.85 KDM4C (0.34) ALDH1A1ALDH2MVD
SCHEMBL25614399 0.84 MMP1 (0.37) MMP1MMP2MMP3MMP8LMNA
SCHEMBL26178813 0.82 KDM4C (0.35)
SCHEMBL20165514 0.78 ALDH1A1 (0.52) ALDH1A1ALDH2LMNA
SCHEMBL25762156 0.75 KDM4C (0.33) ALDH1A1ALDH2
SCHEMBL25021047 0.73 LPAR3 (0.34) MMP1MMP2MMP3MMP8MVD
SCHEMBL25787113 0.73 KDM4C (0.35)
SCHEMBL25762158 0.72 MVD (0.35) MVD
SCHEMBL38659925 0.72 MVD (0.33) MVD
SCHEMBL25614390 0.70 KDM5A (0.37) ALDH1A1ALDH2MMP1MMP2MMP3

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-2023102529-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed