SCHEMBL2877948

SCHEMBL2877948

CCC(CCS)C(=O)NCCN(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.57
TSHR P16473 1/20 0.57
DNM1 Q05193 1/20 0.40
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL2875724 0.91 USP2 (0.47) USP2TSHRDNM1ALDH1A1CA1
SCHEMBL13850713 0.89 USP2 (0.71) USP2TSHRDNM1CYP2C19ALDH1A1
SCHEMBL2880181 0.88 USP2 (0.59) USP2TSHRDNM1CYP2C19ALDH1A1
SCHEMBL2880160 0.88 USP2 (0.44) USP2TSHRDNM1ALDH1A1CA1
Hydrochloric Acid SCHEMBL28974156 0.83 USP2 (0.53) USP2TSHRDNM1CYP2C19ALDH1A1
SCHEMBL2867871 0.82 TSHR (0.55) USP2TSHRCYP2C19ALDH1A1CA1
SCHEMBL2875129 0.82 USP2 (0.48) USP2TSHRDNM1ALDH1A1CA1
SCHEMBL2876900 0.81 TSHR (0.46) USP2TSHRDNM1ALDH1A1CA1
SCHEMBL21232896 0.80 TSHR (0.52) USP2TSHRDNM1ALDH1A1CA1
SCHEMBL2877293 0.80 USP2 (0.50) USP2TSHRCYP2C19ALDH1A1CA1

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