SCHEMBL2053658

SCHEMBL2053658

C=CCC(O)(CO)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
ALDH1A1 P00352 3/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 2/20 0.32
HIF1A Q16665 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 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
SCHEMBL22323568 0.90 ALDH1A1 (0.37) PKMKDM4EMEN1KMT2ACYP4F2
SCHEMBL9052373 0.83 CYP3A4 (0.35) ALDH1A1MAPK1HIF1ATP53CYP3A4
SCHEMBL2348598 0.82 ALDH1A1 (0.38) PKMKDM4EMEN1KMT2ACYP4F2
SCHEMBL247055 0.80 ALDH1A1 (0.32) ALDH1A1MAPK1HIF1ATP53CYP3A4
SCHEMBL10437871 0.79 ALDH1A1 (0.31) ALDH1A1MAPK1HIF1ATP53CYP3A4
SCHEMBL8029715 0.79 ALDH1A1 (0.31) ALDH1A1MAPK1HIF1ATP53CYP3A4
SCHEMBL29073969 0.78 PKM (0.47) PKMKDM4EMEN1KMT2ACYP4F2
SCHEMBL2710202 0.77 PKM (0.40) PKMKDM4EMEN1KMT2ACYP4F2
SCHEMBL5819364 0.76 ALDH1A1 (0.39) PKMKDM4EMEN1KMT2ACYP4F2
SCHEMBL1361264 0.76 CYP4F2 (0.44) PKMKDM4EMEN1KMT2ACYP4F2

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
EP-1541115-B1 COSMETIC JGC CATALYSTS & CHEMICALS LTD (JP) 2011-06-01 EP disclosed
EP-1541115-A1 COSMETIC Catalysts & Chemicals Industries Co., Ltd. (JP) 2005-06-15 EP disclosed
US-20050118220-A1 Cosmetics CATALYSTS& CHEMICALS INDUSTRIES CO., LTD (JP) 2005-06-02 US disclosed