SCHEMBL8975574

SCHEMBL8975574

CNC(CCCCCS)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.38
HDAC1 Q13547 8/20 0.37
HDAC4 P56524 6/20 0.37
HDAC6 Q9UBN7 3/20 0.35
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
CPB2 Q96IY4 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL8976379 0.92 FOLH1 (0.34) FOLH1HDAC1HDAC4ANPEPENPEP
SCHEMBL10786570 0.84
SCHEMBL8976122 0.84
SCHEMBL16327658 0.82 GPR84 (0.44) CA1CA2
SCHEMBL31520092 0.82 GPR84 (0.44) CA1CA2
SCHEMBL22577460 0.82 GPR84 (0.44) CA1CA2
SCHEMBL8975718 0.81 MMP3 (0.39) FOLH1HDAC1HDAC4HDAC6CPB2
SCHEMBL9547605 0.81 KISS1R (0.37) FOLH1CPB2CHRM2CHRM4CHRM1
SCHEMBL13416824 0.80 FOLH1 (0.43) FOLH1CPB2MMP9
SCHEMBL1262904 0.80 FOLH1 (0.43) FOLH1CPB2MMP9

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