SCHEMBL6506652

SCHEMBL6506652

CCOC(=O)CCc1cccc(C#CCN2c3ccccc3Oc3ccccc32)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
GSK3B P49841 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
P2RX4 Q99571 1/20 0.33
MAPT P10636 1/20 0.33
APAF1 O14727 1/20 0.32

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
SCHEMBL6529673 0.88 ALDH1A1 (0.49) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL6528363 0.83 MAPT (0.38) CYP4F2CYP4A11KMT2ARXFP1ALDH1A1
SCHEMBL6510219 0.80 CYP4F2 (0.46) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL6528531 0.80 NOTUM (0.46) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL6509824 0.78 CYP4F2 (0.34) CYP4F2CYP4A11MEN1KMT2ARXFP1
SCHEMBL6508554 0.74 ALDH1A1 (0.43) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL6718325 0.69 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL4818941 0.68 MEN1 (0.61) MEN1KMT2ARXFP1ALDH1A1LMNA
SCHEMBL6977880 0.67 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL69660 0.66 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAALMNA

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
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO claimed
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed