SCHEMBL9656170

SCHEMBL9656170

CCCC(=O)O[C@H](C)CC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
LMNA P02545 5/20 0.40
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PRKCA P17252 1/20 0.33

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
SCHEMBL9656163 1.00 ALDH1A1 (0.41) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL24205655 0.92 GAA (0.44) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL24205657 0.89 LMNA (0.48) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL23159138 0.87 LMNA (0.58) ALDH1A1LMNACYP1A2TSHRMAPT
SCHEMBL21725258 0.87 LMNA (0.58) ALDH1A1LMNACYP1A2TSHRMAPT
SCHEMBL29308241 0.86 LMNA (0.61) ALDH1A1LMNACYP1A2TSHRMAPT
SCHEMBL21725260 0.86 LMNA (0.61) ALDH1A1LMNACYP1A2TSHRMAPT
SCHEMBL25291988 0.85 MAPT (0.40) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL25297547 0.85 MAPT (0.40) ALDH1A1LMNAMAPTMAPK1PRKCA
SCHEMBL25985792 0.85 MGAM (0.39) ALDH1A1GAAMGAMSIMGAM2

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
EP-0266217-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS CHISSO CORPORATION (JP) 1992-12-30 EP disclosed
US-4916074-A ENZYMATIC TRANS ESTERIFICATION OF ALCOHOL WITH TRIGLYCERIDES; PSEUDOMONAS-DERIVED ENZYME CHISSO CORPORATION (JP) 1990-04-10 US disclosed