SCHEMBL9722698

SCHEMBL9722698

CCCC(=O)c1cc(C(=O)NC(C)O)c(N)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 9/20 0.37
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CISD2 Q8N5K1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
S100A4 P26447 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 2/20 0.32
GSK3B P49841 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL9722782 0.81 CISD2 (0.35) ALOX15ALDH1A1HPGDHSD17B10GAA
SCHEMBL9722702 0.80 ALOX15 (0.46) ALOX15ALDH1A1HSD17B10MAPTTAAR1
SCHEMBL9722770 0.69 ALDH1A1 (0.33) ALOX15ALDH1A1HPGDTSHRRECQL
SCHEMBL9722804 0.68 ALOX15 (0.57) ALOX15HPGDTSHRTAAR1TP53
SCHEMBL9722791 0.64 TAAR1 (0.44) ALOX15ALDH1A1HPGDHSD17B10GAA
SCHEMBL9648315 0.62 ALDH1A1 (0.42) ALOX15ALDH1A1HPGDTSHRRECQL
SCHEMBL23330896 0.61 GSK3B (0.65) ALOX15ALDH1A1HPGDTSHRRECQL
SCHEMBL10703134 0.61 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10TDP1GAA
SCHEMBL12608267 0.60 MEN1 (0.52) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL17238833 0.59 KDM4E (0.38) ALDH1A1HPGDGAAKDM4EALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed