SCHEMBL23577978

SCHEMBL23577978

O=C(c1ccc(C2(O)COC2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.55
▸ NAMPT P43490 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ EPHX2 P34913 1/20 0.50
▸ SLC6A7 Q99884 1/20 0.49
▸ HTT P42858 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL23605301 0.96 MEN1 (0.53) AKR1C3NAMPTMEN1HPGDTSHR
SCHEMBL24529929 0.93 MEN1 (0.58) MEN1HPGDTSHRKMT2AEPHX2
SCHEMBL23578412 0.91 CYP3A4 (0.56) AKR1C3NAMPTMEN1HPGDTSHR
SCHEMBL23577381 0.87 CYP3A4 (0.49) AKR1C3MEN1HPGDTSHRKMT2A
SCHEMBL29844006 0.87 MEN1 (0.55) MEN1HPGDTSHRKMT2ACA12
SCHEMBL29844016 0.86 NAMPT (0.44) AKR1C3NAMPTMEN1HPGDTSHR
SCHEMBL23605119 0.86 AKR1C3 (0.49) AKR1C3NAMPTCA12CA2CA9
SCHEMBL23577554 0.85 EPHX2 (0.42) AKR1C3NAMPTMEN1HPGDTSHR
SCHEMBL23577522 0.84 HTT (0.52) AKR1C3NAMPTMEN1HPGDTSHR
SCHEMBL23578387 0.84 MEN1 (0.68) NAMPTMEN1HPGDTSHRKMT2A

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 5 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
WO-2021130723-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2021-07-01 — — WO disclosed
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