SCHEMBL29844069

SCHEMBL29844069

CCOC1(c2ccc(C(=O)N3CC4=C(C3)CN(c3ccc(C(F)(F)F)cc3)C4)cc2)COC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.41
▸ NAMPT P43490 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ MLYCD O95822 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 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
SCHEMBL23605586 0.89 NAMPT (0.41) EPHX2NAMPTMEN1HPGDTSHR
SCHEMBL23605526 0.89 AKR1C3 (0.33) EPHX2NAMPTAKR1C3MGLLMAPT
SCHEMBL30045969 0.86 EPHX2 (0.40) EPHX2NAMPTMEN1HPGDTSHR
SCHEMBL29844016 0.83 NAMPT (0.44) EPHX2NAMPTMEN1HPGDTSHR
SCHEMBL23577508 0.81 GAA (0.46) EPHX2MEN1HPGDTSHRKMT2A
SCHEMBL23577481 0.79 PROKR1 (0.51) MEN1HPGDTSHRKMT2AMAPT
SCHEMBL23605175 0.79 PROKR1 (0.51) MEN1HPGDTSHRKMT2AMAPT
SCHEMBL29844191 0.78 EPHX2 (0.41) EPHX2NAMPTMEN1HPGDTSHR
SCHEMBL23605488 0.78 EPHX2 (0.41) EPHX2NAMPTMEN1HPGDTSHR
SCHEMBL23577537 0.78 MGLL (0.41) EPHX2MEN1HPGDTSHRKMT2A

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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