SCHEMBL8530513

SCHEMBL8530513

O=C(CCCC(=O)NCCS)NCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.54
HDAC4 P56524 6/20 0.54
HDAC1 Q13547 6/20 0.54
HDAC7 Q8WUI4 6/20 0.54
HDAC2 Q92769 6/20 0.54
HDAC10 Q969S8 6/20 0.54
HDAC11 Q96DB2 6/20 0.54
HDAC8 Q9BY41 6/20 0.54
HDAC6 Q9UBN7 6/20 0.54
HDAC9 Q9UKV0 6/20 0.54
HDAC5 Q9UQL6 6/20 0.54
CNR1 P21554 4/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
BLM P54132 2/20 0.45
KMT2A Q03164 2/20 0.45
TRPV1 Q8NER1 2/20 0.45
SELP P16109 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL8413255 0.96 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8412393 0.91 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11955684 0.91 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9649999 0.89 CNR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7063789 0.89 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8896628 0.89 CNR1 (0.53) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL9644300 0.87 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4989871 0.86 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18415503 0.85 SELP (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9642750 0.85 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653202-B1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent OREAL (FR) 1998-03-04 EP claimed
EP-0653202-A1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent L'OREAL (FR) 1995-05-17 EP claimed
US-5843416-A Cosmetic composition containing an n-mercaptoalkylalkanediamide or one of its cosmetically acceptable salts as reducing agent L'OREAL (FR) 1998-12-01 US disclosed
EP-0653202-B1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent OREAL (FR) 1998-03-04 EP disclosed
EP-0653202-A1 Cosmetic composition containing an N-mercaptoalkyl alkanediamide or one of its cosmetically acceptable salts as a reducing agent L'OREAL (FR) 1995-05-17 EP disclosed