SCHEMBL14899652

SCHEMBL14899652

CC(=O)Oc1ccc(N2C(=O)C3C4CC(C5OC45)C3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.70
▸ MAPT P10636 5/20 0.70
▸ HTT P42858 4/20 0.70
▸ HPGD P15428 4/20 0.70
▸ HSD17B10 Q99714 4/20 0.70
▸ ATM Q13315 3/20 0.70
▸ CACNA1B Q00975 3/20 0.70
▸ APBA1 Q02410 3/20 0.70
▸ LMNA P02545 3/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ KMT2A Q03164 6/20 0.54
▸ GLA P06280 1/20 0.54
▸ PKM P14618 3/20 0.52
▸ GAA P10253 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ TNNI3 P19429 1/20 0.47

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
SCHEMBL15165070 0.89 ALDH1A1 (0.64) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL13133141 0.87 KMT2A (0.71) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL14899653 0.82 ALDH1A1 (0.63) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL12903449 0.82 ALDH1A1 (1.00) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL13133138 0.82 KMT2A (0.76) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL13201654 0.82 ALDH1A1 (1.00) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL12942231 0.82 ALDH1A1 (1.00) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL15165069 0.79 GLA (0.60) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL15165072 0.76 KMT2A (0.74) ALDH1A1MAPTHTTHPGDHSD17B10
SCHEMBL12903451 0.75 ALDH1A1 (0.64) ALDH1A1MAPTHTTHPGDHSD17B10

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-20130299747-A1 CURATIVES FOR EPOXY COMPOSITIONSERS DESIGNER MOLECULES, INC. 2013-11-14 — — US disclosed
US-20130199724-A1 CURATIVES FOR EPOXY COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2013-08-08 — — US disclosed
US-8431655-B2 Curatives for epoxy compositions DESIGNER MOLECULES, INC. (US) 2013-04-30 — — US disclosed
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