SCHEMBL9508389

SCHEMBL9508389

CC(NC(=O)CCCN)OCCS

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
FAAH O00519 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
DNM1 Q05193 1/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
CYP1A2 P05177 2/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
SLC6A5 Q9Y345 1/20 0.32
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 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
SCHEMBL9685947 0.90 TLR2 (0.35) KMT2AFAAHMEN1MAPK1DNM1
SCHEMBL9509956 0.83 CTSC (0.33)
SCHEMBL9649630 0.79 KMT2A (0.36) KMT2AFAAHMEN1MAPK1THRB
SCHEMBL13295944 0.73 KMT2A (0.61) KMT2AFAAHMEN1MAPK1DNM1
SCHEMBL28598553 0.73 FAAH (0.47) KMT2AFAAHMEN1MAPK1DNM1
SCHEMBL9122690 0.73 DPP4 (0.41)
SCHEMBL28599001 0.72 HDAC3 (0.41) KMT2AFAAHMEN1MAPK1DNM1
SCHEMBL19569859 0.72 FAAH (0.54) KMT2AFAAHMEN1MAPK1DNM1
SCHEMBL20729541 0.70 KMT2A (0.42) KMT2AFAAHMEN1MAPK1DNM1
SCHEMBL12809690 0.68 THRB (0.40) KMT2AFAAHMEN1MAPK1DNM1

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-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed