SCHEMBL9520189

SCHEMBL9520189

O=C(O)CCCC(=O)NCCCS

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
EPHX2 P34913 3/20 0.47
PRMT1 Q99873 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 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
SCHEMBL7158527 0.89 FOLH1 (0.50) FOLH1TSHRLMNAHDAC3HDAC4
SCHEMBL8414990 0.89 HDAC3 (0.59) FOLH1TSHRLMNAHDAC3HDAC4
SCHEMBL18807778 0.88 PRMT1 (0.59) FOLH1TSHRLMNAHDAC3HDAC4
SCHEMBL930496 0.87 TSHR (0.48) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL15399971 0.87 TSHR (0.65) TSHRLMNAEPHX2PRMT1SLC22A6
SCHEMBL9717385 0.87 TSHR (0.59) TSHRLMNAEPHX2PRMT1SLC22A6
SCHEMBL24855609 0.85 HDAC3 (0.49) FOLH1TSHRHDAC3HDAC4HDAC1
SCHEMBL18648723 0.83 HDAC3 (0.60) FOLH1TSHRLMNAHDAC3HDAC4
SCHEMBL8414996 0.83 TSHR (0.47) TSHRLMNAHDAC3HDAC4HDAC1
SCHEMBL28757328 0.83 PRMT1 (0.68) TSHRLMNAEPHX2PRMT1SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465342-B1 REDUCING COSMETIC COMPOSITION FOR PERMING CONTAINING A DERIVATIVE OF A N-(MERCAPTO-ALKYL)SUCCINAMIC ACID OR A N-(MERCAPTO-ALKYL)SUCCINIMID AND ITS USE IN A PROCESS FOR PERMANENT HAIR SHAPING L'OREAL (FR) 1993-09-29 EP claimed
US-5154918-A COSMETIC COMPOSITION FOR USE IN PERMANENT DEFORMATION OF HAIR CONTAINS AS A REDUCING AGENT A DERIVATIVE OF N-(MERCAPTO ALKYL) SUCCINAMIC ACID OR OF N-(MERCAPTO ALKYL) SUCCINIMIDE L'OREAL (FR) 1992-10-13 US disclosed