SCHEMBL9356382

SCHEMBL9356382

CCC(=O)Oc1ccc2c(c1)C=CC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ AKT1 P31749 3/20 0.33
▸ GSTO1 P78417 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL9356577 0.82 PTGS1 (0.38) PTGS1PTGS2XDHKMT2AMEN1
SCHEMBL27665976 0.76 ALDH1A1 (0.47) PTGS1PTGS2XDHKMT2APTPN1
SCHEMBL9356630 0.73 MEN1 (0.41) KMT2AMEN1PDE4APDE3AAKT1
SCHEMBL27700164 0.71 ALDH1A1 (0.44) PTPN1ALDH1A1HPGDHIF1AEPAS1
SCHEMBL9356911 0.68 AKT1 (0.48) KMT2AMEN1LMNAAKT1GAA
SCHEMBL16529493 0.67 MEN1 (0.61) KMT2AMEN1PDE4APDE3ALMNA
SCHEMBL16529641 0.67 MEN1 (0.61) KMT2AMEN1PDE4APDE3ALMNA
SCHEMBL16530184 0.67 MEN1 (0.61) KMT2AMEN1PDE4APDE3ALMNA
SCHEMBL16530089 0.67 MEN1 (0.61) KMT2AMEN1PDE4APDE3ALMNA
SCHEMBL16529640 0.67 MEN1 (0.61) KMT2AMEN1PDE4APDE3ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304842-A2 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-03-01 — — EP claimed
EP-0304842-B1 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO (JP) 1994-11-30 — — EP disclosed
US-4906669-A Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-03-06 — — US disclosed
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