SCHEMBL9516607

SCHEMBL9516607

O=C(O)C1CCCCC1C(=O)NCCS

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.58
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CASP1 P29466 1/20 0.54
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9518382 0.89 TAAR1 (0.55) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL15791011 0.86 TAAR1 (0.52) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL16141270 0.86 TAAR1 (0.52) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL9517661 0.84 GRM4 (0.43) TAAR1HSD17B10ALDH1A1CASP1
SCHEMBL14159195 0.81 TAAR1 (0.58) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL18469261 0.80 TAAR1 (0.50) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL15430652 0.80 TAAR1 (0.56) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL19141813 0.80 TAAR1 (0.56) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL21840975 0.79 TAAR1 (0.55) TAAR1HSD17B10ALDH1A1CASP1GLA
SCHEMBL10173738 0.79 POLB (0.58) TAAR1HSD17B10ALDH1A1CASP1

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