SCHEMBL27697019

SCHEMBL27697019

CCOCCOC(=S)C(C)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
THRB P10828 1/20 0.39
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 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
SCHEMBL29924669 0.79
SCHEMBL27585665 0.79
SCHEMBL10404852 0.76 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL3792746 0.76 ALDH1A1 (0.58) ALDH1A1TSHRTHRBHSD17B10MEN1
SCHEMBL10405390 0.75 ALDH1A1 (0.38) ALDH1A1TSHRTHRB
SCHEMBL29456838 0.75
SCHEMBL29924494 0.74 CA12 (0.54) ALDH1A1TSHRCA12CA1CA2
SCHEMBL6580504 0.74 ALDH1A1 (0.54) ALDH1A1TSHRTHRBMEN1KMT2A
SCHEMBL10404855 0.74 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHSD17B10
SCHEMBL29924450 0.72 CA12 (0.53) TSHRCA12CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115529-A Hair relaxer SHOWA DENKO KK (JP) 2008-01-30 CN claimed
CN-101721319-A hair relaxer SHOWA DENKO KK 2010-06-09 CN disclosed
CN-101115529-A Hair relaxer SHOWA DENKO KK (JP) 2008-01-30 CN disclosed