SCHEMBL9629063

SCHEMBL9629063

CCCCCCCCCCCOC(=O)C(=CC=CN(CC)CC)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PPARG P37231 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL18698648 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL3455090 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL10442259 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL39398 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL2398240 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL39397 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL12382048 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL9889213 1.00 ALDH1A1 (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL14097777 0.96 KDM4E (0.40) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL18468264 0.95 ALDH1A1 (0.38) ALDH1A1LMNATSHRCYP3A4TP53

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-0189374-B1 LIQUID MIXTURES OF 2-(HYDROXY-3-BRANCHED ALKYL-5-METHYLPHENYL)-2H-BENZOTRIAZOLE, PROCESS FOR THEIR PREPARATION AND STABILIZED COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1992-03-18 — — EP disclosed
EP-0189374-A2 Liquid mixtures of 2-(hydroxy-3-branched alkyl-5-methylphenyl)-2H-benzotriazole, process for their preparation and stabilized compositions containing them CIBA-GEIGY AG (CH) 1986-07-30 — — EP disclosed
Send feedback