SCHEMBL9270970

SCHEMBL9270970

Cc1cc(OCCN(C(=O)Nc2c(C)cccc2C)[C@H]2CC[C@@H](C3CCCCC3)CC2)c(C)c(C)c1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ ALOX5 P09917 6/20 0.33
▸ THRB P10828 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ KCNK3 O14649 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9270967 1.00 EPHX1 (0.36) EPHX1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL9270471 0.83 MEN1 (0.43) EPHX1ALDH1A1LMNAGAAMEN1
SCHEMBL9273248 0.81 EPHX1 (0.42) EPHX1ALDH1A1DCUN1D1LMNAKCNK3
SCHEMBL9273251 0.81 EPHX1 (0.42) EPHX1ALDH1A1DCUN1D1LMNAKCNK3
SCHEMBL9269480 0.76 CYP3A4 (0.44) EPHX1ALDH1A1DCUN1D1LMNAKCNK3
SCHEMBL9269474 0.76 CYP3A4 (0.44) EPHX1ALDH1A1DCUN1D1LMNAKCNK3
SCHEMBL9269097 0.73 DCUN1D1 (0.48) EPHX1DCUN1D1
SCHEMBL9266428 0.73 NPSR1 (0.43) EPHX1ALDH1A1LMNANPSR1ALOX12
SCHEMBL9266431 0.73 NPSR1 (0.43) EPHX1ALDH1A1LMNANPSR1ALOX12
SCHEMBL9273330 0.72 CYP3A4 (0.41) EPHX1ALDH1A1DCUN1D1LMNAKCNK3

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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