SCHEMBL9636165

SCHEMBL9636165

CC(C)(C)c1ccc(OCC(O)CN(CCO)CCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ LMNA P02545 2/20 0.62
▸ GAA P10253 4/20 0.60
▸ HTT P42858 2/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.49
▸ AR P10275 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14922123 0.87 HTT (0.58) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL9636026 0.87 ALDH1A1 (0.57) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL10078135 0.87 HTT (0.61) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL1101535 0.87 HTT (0.61) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL9636030 0.83 MAPK1 (0.55) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL1101566 0.81 HTT (0.55) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL15677148 0.81 MAPT (0.63) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL12403146 0.81 GAA (0.64) ALDH1A1LMNAGAAHTTHIF1A
SCHEMBL31414644 0.80 ALDH1A1 (0.67) ALDH1A1LMNAGAAHIF1ANCOA3
SCHEMBL31414645 0.80 ALDH1A1 (0.67) ALDH1A1LMNAGAAHIF1ANCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239536-B1 LUBRICANT COMPOSITIONS CIBA-GEIGY AG (CH) 1992-06-24 — — EP claimed
EP-0239536-B1 LUBRICANT COMPOSITIONS CIBA-GEIGY AG (CH) 1992-06-24 — — EP disclosed
US-4892671-A FUEL AND OIL ADDITIVES CIBA-GEIGY CORPORATION (US) 1990-01-09 — — US disclosed
EP-0252007-A2 2-Propanol derivatives as corrosion inhibitors CIBA-GEIGY AG (CH) 1988-01-07 — — EP disclosed
EP-0239536-A2 Lubricant compositions CIBA-GEIGY AG (CH) 1987-09-30 — — EP disclosed
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