SCHEMBL9516588

SCHEMBL9516588

NC(=O)c1ccccc1C(=O)NCCS

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HTT P42858 1/20 0.51
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
HCRTR1 O43613 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9518458 0.90 HTT (0.57) TSHRHTTHDAC3HDAC4HDAC1
SCHEMBL6903284 0.89 TSHR (0.58) TSHRHTTHCRTR1KDM4EALDH1A1
SCHEMBL8652703 0.84 TSHR (0.53) TSHRHTTHCRTR1KDM4EALDH1A1
SCHEMBL30508514 0.84 KMT2A (0.61) TSHRHTTHDAC3HDAC4HDAC1
SCHEMBL7150327 0.84 KMT2A (0.61) TSHRHTTHDAC3HDAC4HDAC1
SCHEMBL9570919 0.84 ALDH1A1 (0.54) TSHRHTTHCRTR1KDM4EALDH1A1
SCHEMBL1063005 0.82 TSHR (0.66) TSHRHTTHCRTR1KDM4EALDH1A1
SCHEMBL2080518 0.82 TSHR (0.51) TSHRHTTHCRTR1KDM4EALDH1A1
SCHEMBL12308186 0.81 HTT (0.58) TSHRHTTHDAC3HDAC4HDAC1
SCHEMBL7255678 0.81 HTT (0.62) TSHRHTTHCRTR1KDM4EALDH1A1

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-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