SCHEMBL6203117

SCHEMBL6203117

O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ NPC1 O15118 3/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ POLB P06746 2/20 0.69
▸ NPSR1 Q6W5P4 2/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ ADRB2 P07550 1/20 0.54
▸ HTR1E P28566 1/20 0.54
▸ S1PR3 Q99500 1/20 0.54
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP1A2 P05177 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
SCHEMBL343011 0.90 MAPT (0.77) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6707552 0.90 KMT2A (0.58) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6709697 0.87 KMT2A (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL17703534 0.84 NPSR1 (0.82) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14662953 0.84 MAPT (0.69) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7877273 0.81 NPSR1 (0.77) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6201112 0.81 ALDH1A1 (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7877389 0.81 RAB9A (0.68) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14662793 0.80 MEN1 (0.63) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27972914 0.79 NPSR1 (0.74) MAPTMEN1KMT2ANPC1RAB9A

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-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 — — US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 — — EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 — — WO disclosed
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