SCHEMBL4329951

SCHEMBL4329951

COc1cc(CC(OC(C)C)C(=O)O)ccc1NC(=O)OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 3/20 0.38
MMP1 P03956 1/20 0.38
TSHR P16473 2/20 0.38
LDHA P00338 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4341704 0.90 GAA (0.49) MEN1KMT2AGAAMMP1LDHA
SCHEMBL4328684 0.87 LDHA (0.41) KMT2ASMN1; SMN2TACR1MMP1LDHA
SCHEMBL4482826 0.86 ALDH1A1 (0.41) MEN1KMT2AGAAMMP1TSHR
SCHEMBL4347011 0.85 SMN1; SMN2 (0.39) PTGDR2MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL6654698 0.84 PTGDR2 (0.51) PTGDR2MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL4328226 0.84 MMP1 (0.44) MEN1KMT2ASMN1; SMN2MMP1PPARG
SCHEMBL4339373 0.84 PPARA (0.48) MEN1KMT2AMMP1PPARGPPARA
SCHEMBL4332390 0.83 KMT2A (0.48) MAPK1MEN1KMT2AGAASMN1; SMN2
SCHEMBL4333270 0.83 ALDH1A1 (0.47) GAASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4335253 0.83 MMP1 (0.40) MMP1LDHANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed