SCHEMBL30044887

SCHEMBL30044887

O=C(c1cccc(C2(O)COC2)c1)N1CC2CN(c3ccc(C(F)(F)F)cc3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.42
▸ MGLL Q99685 1/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL23605583 1.00 EPHX2 (0.42) EPHX2MGLLGRIN2BPOLBLMNA
SCHEMBL23577554 0.88 EPHX2 (0.42) EPHX2MGLLGRIN2BHPGDMEN1
SCHEMBL30045021 0.87 HCRTR1 (0.42) EPHX2MGLLGRIN2BPOLBLMNA
SCHEMBL23605587 0.87 HCRTR1 (0.42) EPHX2MGLLGRIN2BPOLBLMNA
SCHEMBL23605707 0.86 HCRTR1 (0.56) MGLLLMNASMN1; SMN2MEN1KMT2A
SCHEMBL29844096 0.85 EPHX2 (0.43) EPHX2POLBLMNAHPGDSMN1; SMN2
SCHEMBL23605155 0.85 EPHX2 (0.43) EPHX2POLBLMNAHPGDSMN1; SMN2
SCHEMBL30044850 0.84 EPHX2 (0.38) EPHX2MGLLPOLBLMNAHPGD
SCHEMBL30044957 0.84 EPHX2 (0.38) EPHX2MGLLPOLBLMNAHPGD
SCHEMBL30045060 0.84 EPHX2 (0.40) EPHX2MGLLPOLBLMNAHPGD

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 1 patent. 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 disclosed
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