SCHEMBL17629585

SCHEMBL17629585

CCOC(=O)CCN(Cc1ccc(C(F)(F)F)cc1)C1=C(C(=O)OCC)CC(=O)N(C)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.43
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ PPARG P37231 2/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ FPR2 P25090 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ TRPM2 O94759 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ ATM Q13315 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
SCHEMBL19251687 0.85 PPARG (0.38) CETPALDH1A1KDM4EPPARGMEN1
SCHEMBL17629592 0.75 KCNQ2 (0.43) ALDH1A1KDM4EPPARGMEN1KMT2A
SCHEMBL5646521 0.66 CYP4F2 (0.66) ALDH1A1KDM4EPPARGMAPT
Hydrochloric Acid SCHEMBL27739628 0.65 CYP4F2 (0.64) ALDH1A1KDM4EPPARGMAPT
SCHEMBL19251713 0.65 TLR2 (0.39) CETPALDH1A1KDM4EPPARGMEN1
SCHEMBL17629595 0.65 EGLN1 (0.54) ALDH1A1KDM4EMAPT
SCHEMBL19251699 0.64 MAPT (0.39) CETPALDH1A1KDM4EMEN1KMT2A
SCHEMBL17629568 0.64 KDM4E (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13581164 0.64 GCGR (0.47) CETPMAPT
SCHEMBL17629575 0.63 KDM4E (0.44) ALDH1A1KDM4EMEN1KMT2AMAPT

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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