SCHEMBL4425030

SCHEMBL4425030

CCOC(=O)C(C)(CC)SC(N)=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.35
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 3/20 0.33
MMP8 P22894 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
THRB P10828 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
SCHEMBL161661 0.81 ALOX15 (0.41) ALOX15MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL11060303 0.81 ALOX15 (0.41) ALOX15MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL13361164 0.78 CYP4F2 (0.41) ALOX15MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL28694710 0.75 CYP4F2 (0.40) ALOX15MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL634973 0.71 ALOX15 (0.46) ALOX15CYP4F2CYP4A11ALDH1A1CYP2D6
SCHEMBL18113225 0.69 ALOX15 (0.44) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL13810024 0.68 ALDH1A1 (0.46) ALOX15MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL5253502 0.68 ALDH1A1 (0.41) MAPTCYP4F2CYP4A11ALDH1A1CYP2D6
SCHEMBL1270954 0.68 ALDH1A1 (0.46) ALOX15MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL18113066 0.68 ALDH1A1 (0.39) MAPTCYP4F2CYP4A11ALDH1A1CYP2D6

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-2117718-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. (US) 2009-11-18 EP claimed
WO-2008097707-A1 NOVEL DITHIOCARBAMATE COLLECTORS AND THEIR USE IN THE BENEFICATION OF MINERAL ORE BODIES CYTEC TECHNOLOGY CORP. (US) 2008-08-14 WO claimed