SCHEMBL9273248

SCHEMBL9273248

CCOCCN(C(=O)Nc1c(C)cccc1C)C1CCC(C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.42
▸ LMNA P02545 4/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ SCN3A Q9NY46 2/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ POLB P06746 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
SCHEMBL9273251 1.00 EPHX1 (0.42) EPHX1LMNAKCNK3ALDH1A1MEN1
SCHEMBL9270471 0.85 MEN1 (0.43) EPHX1LMNAALDH1A1MEN1KMT2A
SCHEMBL9269480 0.84 CYP3A4 (0.44) EPHX1LMNAKCNK3ALDH1A1CYP3A4
SCHEMBL9269474 0.84 CYP3A4 (0.44) EPHX1LMNAKCNK3ALDH1A1CYP3A4
SCHEMBL9270967 0.81 EPHX1 (0.36) EPHX1LMNAKCNK3ALDH1A1MEN1
SCHEMBL9270970 0.81 EPHX1 (0.36) EPHX1LMNAKCNK3ALDH1A1MEN1
SCHEMBL9273330 0.81 CYP3A4 (0.41) EPHX1LMNAKCNK3ALDH1A1MEN1
SCHEMBL9273333 0.81 CYP3A4 (0.41) EPHX1LMNAKCNK3ALDH1A1MEN1
SCHEMBL9269097 0.79 DCUN1D1 (0.48) EPHX1DCUN1D1
SCHEMBL9266431 0.77 NPSR1 (0.43) EPHX1LMNAALDH1A1MEN1KMT2A

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
US-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 — — US disclosed
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