SCHEMBL2877928

SCHEMBL2877928

CCC(=O)OCC(C)CS

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 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
NAAA Q02083 1/20 0.38
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SOAT1 P35610 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
SCHEMBL9756907 0.86 NAAA (0.43) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL2854978 0.82 MAPT (0.47) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL30320231 0.82 MAPT (0.47) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL6355099 0.81 MAPT (0.39) ALDH1A1MAPTTSHRLMNACYP3A4
SCHEMBL9756806 0.80 PRKCA (0.39) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL9756817 0.80 PRKCA (0.39) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL13176773 0.78 NAAA (0.42) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28422860 0.78 NAAA (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL1233344 0.78 NAAA (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL14410763 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDCYP2C19BLM

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
EP-1570835-B1 Composition for the permanent deformation of the hair comprising at least one carboxydithiol OREAL (FR) 2010-10-20 EP claimed