SCHEMBL8975606

SCHEMBL8975606

CN(C)CCCC(=O)NCCSSCCNC(=O)CCCN(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.57
PAOX Q6QHF9 1/20 0.40
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FAAH O00519 3/20 0.37
LMNA P02545 1/20 0.36
LPAR1 Q92633 1/20 0.36
CASP2 P42575 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ACKR3 P25106 1/20 0.35
KDM4A O75164 3/20 0.35
KDM4C Q9H3R0 3/20 0.35
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35

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
SCHEMBL8975550 0.89 DNM1 (0.49) DNM1PAOXTSHRLMNACASP2
SCHEMBL8773743 0.84 DNM1 (0.76) DNM1PAOXTSHRCYP2C9CYP2C19
SCHEMBL20334856 0.82 DNM1 (0.58) DNM1FAAHLPAR1CASP2
SCHEMBL8956303 0.81 DNM1 (0.61) DNM1PAOXTSHRCYP2C9CYP2C19
SCHEMBL4577930 0.81 DNM1 (0.66) DNM1PAOXFAAHMAPT
SCHEMBL14500629 0.81 DNM1 (0.71) DNM1PAOXTSHRFAAHCASP2
SCHEMBL4577925 0.81 DNM1 (0.61) DNM1PAOXTSHRCYP2C9CYP2C19
SCHEMBL18871395 0.80 DNM1 (0.58) DNM1FAAHLPAR1CASP2KDM4A
SCHEMBL18870738 0.80 DNM1 (0.58) DNM1FAAHLPAR1CASP2KDM4A
SCHEMBL18870733 0.80 DNM1 (0.58) DNM1FAAHLPAR1CASP2KDM4A

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-0514282-B1 Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair OREAL (FR) 1996-04-10 EP claimed