SCHEMBL9516183

SCHEMBL9516183

O=C1C2CCCCC2C(=O)N1CCCS

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.39
HTR1A P08908 3/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL9516164 0.88 ALDH1A1 (0.47) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL17532416 0.87 ALDH1A1 (0.50) ALDH1A1HTTHTR1ADRD2HTR2A
SCHEMBL17532423 0.85 ALDH1A1 (0.49) ALDH1A1HTTHTR1ADRD2HTR2A
SCHEMBL10948563 0.85 ALDH1A1 (0.49) ALDH1A1HTTHTR1ADRD2HTR2A
SCHEMBL17532412 0.83 ALDH1A1 (0.53) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL11510536 0.80 HTT (0.51) ALDH1A1HTTHTR1ALMNACHRM2
SCHEMBL11845960 0.78 CNR2 (0.46) ALDH1A1HTR1ALMNACHRM2ADRA2A
SCHEMBL9119239 0.78 ALDH1A1 (0.43) ALDH1A1HTTHTR1ADRD2HTR2A
SCHEMBL9179752 0.78 ALDH1A1 (0.47) ALDH1A1HTR1ADRD2HTR2AMEN1
SCHEMBL9179747 0.78 ALDH1A1 (0.47) ALDH1A1HTR1ADRD2HTR2AMEN1

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