SCHEMBL2877293

SCHEMBL2877293

CCNC(=O)C(CC)CCS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
TSHR P16473 2/20 0.50
CA2 P00918 6/20 0.42
CA1 P00915 5/20 0.42
FOLH1 Q04609 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 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
SCHEMBL2874733 0.91 TSHR (0.43) USP2TSHRCA2CA1FOLH1
SCHEMBL2876713 0.88 USP2 (0.40) USP2TSHRFOLH1MMP1MMP2
SCHEMBL19188339 0.83 TSHR (0.54) USP2TSHRCA2CA1HDAC7
SCHEMBL13575672 0.83 TSHR (0.54) USP2TSHRCA2CA1HDAC7
SCHEMBL28012223 0.83 TSHR (0.54) USP2TSHRCA2CA1HDAC7
SCHEMBL2867871 0.82 TSHR (0.55) USP2TSHRCA2CA1FOLH1
SCHEMBL13609174 0.82 TSHR (0.71) USP2TSHRCA2CA1MMP1
SCHEMBL2872456 0.81 TSHR (0.44) USP2TSHRCA2CA1FOLH1
SCHEMBL2871456 0.81 CA2 (0.44) USP2TSHRCA2CA1FOLH1
SCHEMBL2877948 0.80 USP2 (0.57) USP2TSHRCA2CA1ALDH1A1

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