SCHEMBL25782950

SCHEMBL25782950

CCOC(=O)c1cc(C)[nH]c1CCCCOCc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ ALOX5 P09917 8/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PTGES O14684 3/20 0.44
▸ MAOB P27338 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL25782746 0.86 PDE3B (0.46) PDE3BPDE3AALOX5KMT2ASMN1; SMN2
SCHEMBL25782959 0.79 KMT2A (0.46) PDE3BPDE3AALOX5KMT2ASMN1; SMN2
SCHEMBL25782745 0.72 EPHX2 (0.47) MAOBALDH1A1MAPTMAPK1KDM4E
SCHEMBL19555403 0.71 MAOB (0.49) PDE3BPDE3AALOX5KMT2ASMN1; SMN2
SCHEMBL20379000 0.70 MAOB (0.50) ALOX5MAOB
SCHEMBL8880826 0.69 CYP3A4 (0.53) KMT2AMAOB
SCHEMBL25782743 0.69 THRA (0.53) KMT2ASMN1; SMN2MAOBALDH1A1
SCHEMBL1097733 0.68 MAOB (0.53) PDE3BPDE3AKMT2ASMN1; SMN2MAOB
SCHEMBL23732254 0.68 KDM4E (0.55) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL27045093 0.68 CYP3A4 (0.55) ALOX5MAOBKDM4E

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
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 — — WO disclosed
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