SCHEMBL9190823

SCHEMBL9190823

O=C(CNCCS)NCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
CNR1 P21554 4/20 0.34
BLM P54132 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL3046011 0.89 HDAC3 (0.41) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL3108825 0.86 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL8661731 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL16384590 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL9193023 0.81 HDAC3 (0.40) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL9188556 0.81 MCL1 (0.44) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL8414980 0.79 HDAC3 (0.50) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL9192136 0.78 MCL1 (0.39) ALDH1A1MEN1KMT2AHDAC3HDAC4
SCHEMBL6804037 0.78 ITGB1 (0.38) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL20469999 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577473-B1 Reducing cosmetic composition for the permanent deformation of hair based on a mercaptoalkylamino-amide and process for the permanent deformation of hair OREAL (FR) 1995-12-20 EP claimed