SCHEMBL9518458

SCHEMBL9518458

NC(=O)c1ccccc1C(=O)NCCCS

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
TSHR P16473 2/20 0.57
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
HPGD P15428 3/20 0.46
ALOX5 P09917 1/20 0.46
NAAA Q02083 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL9516588 0.90 TSHR (0.51) HTTTSHRHDAC3HDAC4HDAC1
SCHEMBL6903284 0.86 TSHR (0.58) HTTTSHRHPGDNPC1ALDH1A1
SCHEMBL9518417 0.85 HTT (0.59) HTTTSHRHDAC3HDAC4HDAC1
SCHEMBL7255678 0.85 HTT (0.62) HTTTSHRHPGDALOX5NAAA
SCHEMBL308733 0.83 HTT (0.57) HTTTSHRHPGDALOX5NAAA
SCHEMBL30415135 0.83 HTT (0.57) HTTTSHRHPGDALOX5NAAA
SCHEMBL5702819 0.83 TSHR (0.83) HTTTSHRHPGDNAAAALDH1A1
SCHEMBL8620126 0.83 ALDH1A1 (0.57) HTTTSHRHDAC3HDAC4HDAC1
SCHEMBL8654054 0.83 HTT (0.57) HTTTSHRHDAC3HDAC1HPGD
SCHEMBL8653159 0.82 TSHR (0.56) HTTTSHRHDAC3HDAC1HPGD

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