SCHEMBL9517628

SCHEMBL9517628

NC(=O)C1CCCCC1C(=O)NCCCS

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.41
TAAR1 Q96RJ0 3/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
EPHX1 P07099 1/20 0.39
NAAA Q02083 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL9517661 0.90 GRM4 (0.43) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL9518382 0.85 TAAR1 (0.55) TAAR1HSD17B10ALDH1A1CASP1
SCHEMBL4598382 0.81 GRM4 (0.44) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL4598374 0.81 GRM4 (0.44) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL4824953 0.81 GRM4 (0.44) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL15791011 0.79 TAAR1 (0.52) TAAR1HSD17B10ALDH1A1CASP1
SCHEMBL16141270 0.79 TAAR1 (0.52) TAAR1HSD17B10ALDH1A1CASP1
SCHEMBL4819619 0.79 L3MBTL1 (0.47) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL17983408 0.76 EPHX1 (0.40) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL19884369 0.75 NAAA (0.44) GRM4TAAR1EPHX1NAAAHDAC3

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