SCHEMBL2874709

SCHEMBL2874709

CCC(CS)C(=O)NCC(C)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNA3 P32297 3/20 0.36
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PKM P14618 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2872017 0.91 CHRNB2 (0.39) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL2874628 0.87 USP2 (0.44) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL2871693 0.87 HDAC7 (0.39) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL2877735 0.85 CHRNB2 (0.39) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL2874910 0.82 CHRNB2 (0.37) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL2868143 0.81 CHRNB2 (0.36) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL2871472 0.81 CHRNB2 (0.41) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL2874830 0.80 TSHR (0.47) USP2TSHRALDH1A1KMT2AMEN1
SCHEMBL2877915 0.80 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA4CHRNA3HDAC4
SCHEMBL2877517 0.76 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA4CHRNA3ALDH1A1

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