SCHEMBL6495941

SCHEMBL6495941

CCOC(=O)C(Cc1ccc(OC)c(C(N)C(=O)C(C)P(=O)(OCC)OCC)c1)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
LDHA P00338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IARS1 P41252 1/20 0.33
ALOX15 P16050 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PKM P14618 1/20 0.32
TPH1 P17752 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX12 P18054 1/20 0.32
REN P00797 1/20 0.31

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
SCHEMBL6495704 0.86 LMNA (0.33) ALDH1A1LDHAIARS1ALOX15MAPT
SCHEMBL6495800 0.83 LDHA (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL6495944 0.79 PPARA (0.44) ALDH1A1PPARGPPARDPPARA
SCHEMBL4329066 0.77 GAA (0.47) ALDH1A1LDHAL3MBTL1ALOX15PKM
SCHEMBL4333218 0.77 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL6506184 0.76 ALOX15 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL4333251 0.76 ALOX15 (0.57) LDHAIARS1ALOX15LMNAALOX12
SCHEMBL4329833 0.75 ALOX15 (0.46) ALDH1A1LDHAALOX15PKMPPARG
SCHEMBL4329462 0.74 ALOX15 (0.44) ALDH1A1LDHAALOX15PKMPPARG
SCHEMBL6498892 0.74 PPARA (0.44) LDHAALOX15PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed