SCHEMBL29844016

SCHEMBL29844016

O=C(c1ccc(C2(O)COC2)cc1)N1CC2=C(C1)CN(c1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ EPHX1 P07099 1/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.38
▸ WDR91 A4D1P6 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ DRD2 P14416 1/20 0.36

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
SCHEMBL23605155 0.87 EPHX2 (0.43) NAMPTEPHX2MEN1HPGDTSHR
SCHEMBL29844096 0.87 EPHX2 (0.43) NAMPTEPHX2MEN1HPGDTSHR
SCHEMBL23577978 0.86 AKR1C3 (0.55) NAMPTEPHX2MEN1HPGDTSHR
SCHEMBL23605586 0.85 NAMPT (0.41) NAMPTEPHX2MEN1HPGDTSHR
SCHEMBL23577554 0.83 EPHX2 (0.42) NAMPTEPHX2MEN1HPGDTSHR
SCHEMBL23605612 0.83 HPGD (0.42) NAMPTEPHX2MEN1HPGDTSHR
SCHEMBL24529929 0.83 MEN1 (0.58) EPHX2MEN1HPGDTSHRKMT2A
SCHEMBL29716506 0.83 L3MBTL1 (0.42) EPHX2MEN1HPGDTSHRKMT2A
SCHEMBL29844069 0.83 EPHX2 (0.41) NAMPTEPHX2MEN1HPGDTSHR
SCHEMBL23578412 0.83 CYP3A4 (0.56) NAMPTEPHX2MEN1HPGDTSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081509-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Zydus Lifesciences Limited (IN) 2022-11-02 — — EP claimed
CN-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 — — CN claimed
EP-4081509-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Zydus Lifesciences Limited (IN) 2022-11-02 — — EP disclosed
CN-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 — — CN disclosed
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