SCHEMBL7574384

SCHEMBL7574384

O=C(O)CN[C@@H](CS)C(O)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
PTGS2 P35354 2/20 0.42
BLM P54132 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FOLH1 Q04609 2/20 0.40
ACE P12821 3/20 0.38
PTGS1 P23219 2/20 0.38
GSTK1 Q9Y2Q3 1/20 0.38
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MME P08473 4/20 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
SCHEMBL22361657 1.00 MAPT (0.42) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL80875 0.82 MAPT (0.50) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL197221 0.82 MAPT (0.50) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL69148 0.82 MAPT (0.50) MAPTPTGS2BLMKDM4ETHRB
Ammonia Solution, Strong SCHEMBL19614515 0.80 MAPT (0.48) MAPTPTGS2BLMKDM4ETHRB
Ammonia Solution, Strong SCHEMBL19614510 0.80 MAPT (0.48) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL9636802 0.78 PTGS1 (0.38) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL9636795 0.78 PTGS1 (0.38) MAPTPTGS2BLMKDM4ETHRB
SCHEMBL929284 0.78 ACE (0.56) MAPTPTGS2BLMKDM4ETHRB
Zinc Ion SCHEMBL9455609 0.77 MAPT (0.36) MAPTPTGS2BLMKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288151-B2 Permanent wave composition OREAL (FR) 2002-10-02 EP disclosed
EP-0288151-B1 Permanent wave composition REDKEN LABORATORIES INC (US) 1994-11-30 EP disclosed
US-4816246-A AMMONIUM THIOGLYCOLATE REDKEN LABORATORIES, INC. (US) 1989-03-28 US disclosed
EP-0288151-A2 Permanent wave composition L'OREAL, S.A. (FR) 1988-10-26 EP disclosed