SCHEMBL4450857

SCHEMBL4450857

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TRPA1 O75762 1/20 0.32
HTT P42858 1/20 0.31
SERPINE1 P05121 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30

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
SCHEMBL28103946 0.86 NAAA (0.39) NAAAALDH1A1CYP1A2HPGDCYP2C19
Ammonia Solution, Strong SCHEMBL4621612 0.83 NAAA (0.40) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL11996533 0.83 NAAA (0.40) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL14472846 0.82 NAAA (0.43) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL722286 0.82 NAAA (0.43) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL15281013 0.82 LMNA (0.45) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL27870698 0.81 NAAA (0.39) NAAAALDH1A1CYP1A2HPGDCYP2C19
Hydrochloric Acid SCHEMBL29626584 0.80 NAAA (0.41) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL27971335 0.80 NAAA (0.41) NAAAALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL20512129 0.79 NAAA (0.38) NAAAALDH1A1CYP1A2HPGDCYP2C19

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
US-7592055-B2 Moisture-permeable waterproof film, composite material, and processes for producing these TORAY INDUSTRIES, INC. (JP) 2009-09-22 US disclosed
US-20070036983-A1 For outdoor wear for fishing and mountaineering, ski wears, windbreakers, athletic wear, golf wear, tennis wear, rain wear, casual coats, outdoor work clothes, gloves and shoes TORAY INDUSTRIES, INC. (JP) 2007-02-15 US disclosed
EP-1591471-A1 MOISTURE-PERMEABLE WATERPROOF FILM, COMPOSITE MATERIAL, AND PROCESSES FOR PRODUCING THESE TORAY INDUSTRIES, INC. (JP) 2005-11-02 EP disclosed