SCHEMBL14384878

SCHEMBL14384878

CC(C)c1ccc(C(=O)CCN2CCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.72
▸ MAPT P10636 6/20 0.72
▸ KMT2A Q03164 6/20 0.72
▸ LMNA P02545 2/20 0.66
▸ MPI P34949 1/20 0.66
▸ THRB P10828 3/20 0.60
▸ THRA P10827 2/20 0.60
▸ TP53 P04637 1/20 0.58
▸ ALDH3A1 P30838 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ EGFR P00533 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54

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
SCHEMBL9512833 0.88 ALDH1A1 (0.84) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12919996 0.85 TP53 (0.53) ALDH1A1MAPTKMT2ALMNATP53
SCHEMBL7255774 0.84 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123790 0.84 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNAMPI
Hydrochloric Acid SCHEMBL7932182 0.82 ALDH1A1 (0.74) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123771 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123826 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123789 0.81 ALDH1A1 (0.97) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL321369 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL15601796 0.80 KMT2A (0.68) ALDH1A1MAPTKMT2ALMNAMPI

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
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 — — WO disclosed
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