SCHEMBL2874830

SCHEMBL2874830

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
MME P08473 5/20 0.33
ACE P12821 3/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ECE1 P42892 1/20 0.33
BLM P54132 1/20 0.33
NPEPPS P55786 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL2871458 0.90 USP2 (0.37) TSHRUSP2MMEACEALDH1A1
SCHEMBL2880149 0.85 HDAC7 (0.42) TSHRUSP2CA1CA2
SCHEMBL2872456 0.85 TSHR (0.44) TSHRUSP2MMEACECPA1
SCHEMBL2875388 0.83 ALDH1A1 (0.33) TSHRUSP2MMEACEALDH1A1
SCHEMBL13472634 0.82 TSHR (0.48) TSHRUSP2ALDH1A1KMT2ACA1
SCHEMBL2874709 0.80 USP2 (0.47) TSHRUSP2ALDH1A1MEN1KMT2A
SCHEMBL2875116 0.80 FOLH1 (0.37) ALDH1A1
SCHEMBL2871527 0.79 FOLH1 (0.39) ALDH1A1
SCHEMBL2874052 0.78 ALDH1A1 (0.35) TSHRUSP2ALDH1A1MAPT
SCHEMBL2874714 0.78 ACE (0.34) ACEALDH1A1MAPT

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