SCHEMBL2880149

SCHEMBL2880149

CCCC(CS)C(=O)NCC(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL6550164 0.89 HDAC7 (0.54) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL2875388 0.87 ALDH1A1 (0.33) TSHRUSP2
SCHEMBL2871458 0.87 USP2 (0.37) TDP1TSHRUSP2
SCHEMBL2874830 0.85 TSHR (0.47) TSHRUSP2CA1CA2
SCHEMBL2875116 0.84 FOLH1 (0.37)
SCHEMBL2871527 0.83 FOLH1 (0.39) HDAC1HDAC4
SCHEMBL2871693 0.81 HDAC7 (0.39) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL2874052 0.79 ALDH1A1 (0.35) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL2872456 0.79 TSHR (0.44) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL24378364 0.77 MAPK1 (0.47) HDAC7HDAC8HDAC6HDAC9HDAC5

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