SCHEMBL9356577

SCHEMBL9356577

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC1(C)C=Cc2cc(OC(C)(C)C)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ HIF1A Q16665 3/20 0.34
▸ EPAS1 Q99814 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AKT1 P31749 3/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE3A Q14432 1/20 0.30

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
SCHEMBL9356382 0.82 PTGS1 (0.37) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL9356911 0.68 AKT1 (0.48) LMNAAKT1MEN1KMT2A
SCHEMBL9356630 0.67 MEN1 (0.41) HIF1AAKT1MEN1KMT2APDE4A
SCHEMBL21875426 0.67 LMNA (0.43) LMNAAKT1MEN1KMT2A
SCHEMBL21875425 0.67 LMNA (0.43) LMNAAKT1MEN1KMT2A
SCHEMBL21875424 0.67 LMNA (0.43) LMNAAKT1MEN1KMT2A
SCHEMBL1717560 0.65 LMNA (0.39) PTGS1LMNAAKT1MEN1KMT2A
SCHEMBL1717558 0.65 LMNA (0.39) PTGS1LMNAAKT1MEN1KMT2A
SCHEMBL21131789 0.62 LMNA (0.55) LMNAAKT1MEN1KMT2APDE4A
SCHEMBL21931412 0.62 LMNA (0.55) LMNAAKT1MEN1KMT2APDE4A

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 4 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
EP-0304842-A2 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-03-01 — — EP disclosed
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