SCHEMBL6529673

SCHEMBL6529673

CCOC(=O)CCc1cccc(C#CCN2C(=O)COc3ccccc32)c1OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 2/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CDYL Q9Y232 1/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 1/20 0.38
GRM5 P41594 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL6506652 0.88 CYP4F2 (0.41) ALDH1A1KMT2AMEN1HSD17B10POLB
SCHEMBL6528363 0.84 MAPT (0.38) ALDH1A1KMT2ATSHRTP53POLB
SCHEMBL6530940 0.80 KMT2A (0.39) ALDH1A1KMT2AMEN1USP2HTT
SCHEMBL6528531 0.79 NOTUM (0.46) ALDH1A1KMT2AMEN1USP2HTT
SCHEMBL6510219 0.77 CYP4F2 (0.46) ALDH1A1KMT2AMEN1TSHRHSD17B10
SCHEMBL2627034 0.72 USP2 (0.70) ALDH1A1KMT2AMEN1USP2HTT
SCHEMBL6508554 0.72 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1USP2HSD17B10
SCHEMBL6529670 0.68 PPARG (0.48) ALDH1A1KMT2AMEN1USP2HTT
SCHEMBL6509824 0.68 CYP4F2 (0.34) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL6718325 0.66 CYP4F2 (0.59) ALDH1A1HSD17B10CDYLGAACYP4F2

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