SCHEMBL9501584

SCHEMBL9501584

CCOC(=O)C(O)(CC)C(O)(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
ALDH1A1 P00352 5/20 0.39
PIN1 Q13526 1/20 0.38
PKM P14618 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL14152741 0.91 ALDH1A1 (0.46) POLBNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL1197211 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATHRB
SCHEMBL22440902 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATHRB
SCHEMBL1196173 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATHRB
SCHEMBL387177 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATHRB
SCHEMBL28157324 0.79 POLB (0.41) POLBNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL29714562 0.79 HTT (0.38) POLBNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL1445502 0.78 POLB (0.54) POLBNPSR1CYP4F2CYP4A11ALDH1A1
SCHEMBL10796195 0.77 NAAA (0.47) NPSR1ALDH1A1LMNAHCAR2
SCHEMBL1562266 0.76 CYP4F2 (0.41) POLBNPSR1CYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103781850-A Zirconium-containing complex and condensation reaction catalyst, method for preparing the catalyst and composition comprising the catalyst DOW CORNING 2014-05-07 CN disclosed
CN-103781823-A Titanium containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING 2014-05-07 CN disclosed
EP-0285421-B1 METHOD OF PRODUCING PHOSPHATIDIC ACID DERIVATIVES KABUSHIKI KAISHA YAKULT HONSHA (JP) 1993-05-19 EP disclosed
EP-0285421-A2 Method of producing phosphatidic acid derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1988-10-05 EP disclosed