SCHEMBL17629575

SCHEMBL17629575

CCOC(=O)CCNC1=C(C(=O)OCC)CC(=O)N(C)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ TSHR P16473 3/20 0.40
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TOP2A P11388 1/20 0.36
▸ CASP3 P42574 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL17629568 0.75 KDM4E (0.52) KDM4EALDH1A1TSHRGAAMEN1
SCHEMBL17629592 0.74 KCNQ2 (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL17629580 0.74 KDM4E (0.51) KDM4EALDH1A1TSHRGAAMEN1
SCHEMBL22838637 0.63 KDM4E (0.43) KDM4EALDH1A1TSHRGAAMEN1
SCHEMBL9548196 0.62 KDM4E (0.72) KDM4EALDH1A1TSHRGAAMEN1
SCHEMBL23910261 0.62 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AALOX15
SCHEMBL11397372 0.62 TSHR (0.61) KDM4EALDH1A1TSHRGAAMEN1
SCHEMBL6190090 0.61 MEN1 (0.44) KDM4EMEN1KMT2AMAPT
SCHEMBL4464939 0.61 GAA (0.59) ALDH1A1GAAKMT2AMAPTTOP2A
SCHEMBL13295973 0.61 KDM4E (0.58) KDM4EALDH1A1TSHRGAAMEN1

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-3197455-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 — — EP disclosed
WO-2016049097-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 — — WO disclosed
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