SCHEMBL29083228

SCHEMBL29083228

CNC1CCN(C(=O)OC(C)(C)C)CC1(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.45
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ STS P08842 6/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL26171864 1.00 EPHX1 (0.45) EPHX1HPGDRECQLMAPTKDM4E
SCHEMBL21649154 0.86 EPHX1 (0.46) EPHX1HPGDRECQLMAPTKDM4E
SCHEMBL31734338 0.86 EPHX1 (0.46) EPHX1HPGDRECQLMAPTKDM4E
SCHEMBL25185104 0.85 NR1H2 (0.40) EPHX1HPGDEPHX2USP2SMN1; SMN2
SCHEMBL17125681 0.84 EPHX1 (0.49) EPHX1HPGDRECQLMAPTKDM4E
SCHEMBL4172346 0.84 EPHX1 (0.49) EPHX1HPGDRECQLMAPTKDM4E
SCHEMBL21411217 0.84 EPHX1 (0.41) EPHX1HPGDRECQLMAPTKDM4E
SCHEMBL15416696 0.84 EPHX1 (0.41) EPHX1HPGDRECQLMAPTKDM4E
SCHEMBL17630680 0.81 HPGD (0.47) EPHX1HPGDRECQLMAPTKDM4E
SCHEMBL1965038 0.81 HPGD (0.47) EPHX1HPGDRECQLMAPTKDM4E

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
CN-116783202-A Thienopyrrole compounds 吉利德科学公司 2023-09-19 — — CN disclosed
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