SCHEMBL6532064

SCHEMBL6532064

CCOC(C)C(=O)Oc1ccc(C#CCN2C(=O)c3ccccc3NC2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 4/20 0.36
THRB P10828 2/20 0.36
USP2 O75604 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABCB1 P08183 4/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6508551 0.82 KDM4E (0.44) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL6509016 0.73 PPARG (0.46)
SCHEMBL6507803 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL5317084 0.67 L3MBTL1 (0.47) ALDH1A1GAASMN1; SMN2HPGDKMT2A
SCHEMBL9857800 0.64 ELANE (0.44) GAAHSD17B10KMT2ANPC1RAB9A
SCHEMBL13360054 0.64 PPARG (0.48) ALDH1A1KDM4EGAAHSD17B10KMT2A
SCHEMBL6055986 0.63 ESR1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7248300 0.62 PPARA (0.45) ALDH1A1KDM4EHPGDTHRBABCB1
SCHEMBL13713678 0.60 KDM4E (0.48) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL8158054 0.60 PKM (0.53) ALDH1A1SMN1; SMN2HPGDUSP2KMT2A

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