SCHEMBL9873716

SCHEMBL9873716

CC(=CCO)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 3/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 1/20 0.61
UGT1A1 P22309 1/20 0.61
PPARG P37231 1/20 0.50
BACE1 P56817 1/20 0.48
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
SQLE Q14534 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
TRPA1 O75762 1/20 0.42

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
SCHEMBL9874540 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9874537 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11072220 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9872878 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9873705 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11072225 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL9872875 1.00 KMT2A (0.61) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL2725711 0.98 KMT2A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL2010822 0.98 KMT2A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10577114 0.86 PPARG (0.51) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435423-A Anti-ulcer composition comprising terpenoid containing two functional groups and method of treating ulcers EISAI CO., LTD. (JP) 1984-03-06 US claimed
US-4338251-A Two-functional-group-containing terpenoids, processes for the preparation of the same, and anti-ulcer agents containing the same EISAI CO., LTD. (JP) 1982-07-06 US claimed
US-4992469-A Prevention of cardiovascular disorder; phospholipase inhibitor EISAI CO., LTD. (JP) 1991-02-12 US disclosed
EP-0163317-B1 QUINONE DERIVATIVES, METHOD AND USE OF PREPARING SAME, AND PHARMACEUTICAL COMPOSITION Eisai Co., Ltd. (JP) 1988-08-24 EP disclosed
EP-0163317-A1 Quinone derivatives, method and use of preparing same, and pharmaceutical composition Eisai Co., Ltd. (JP) 1985-12-04 EP disclosed
US-4468458-A Two-functional-group-containing terpenoids, processes for the preparation of the same, and anti-ulcer agents containing the same EISAI CO., LTD. (JP) 1984-08-28 US disclosed
US-4454330-A Two-functional-group-containing terpenoids, processes for the preparation of the same, and anti-ulcer agents containing the same EISAI CO., LTD. (JP) 1984-06-12 US disclosed
US-4435423-A Anti-ulcer composition comprising terpenoid containing two functional groups and method of treating ulcers EISAI CO., LTD. (JP) 1984-03-06 US disclosed
US-4386227-A DIOLS PRODUCED BY MICROBIOLOGICAL OXIDATION EISAI CO., LTD. (JP) 1983-05-31 US disclosed
US-4338251-A Two-functional-group-containing terpenoids, processes for the preparation of the same, and anti-ulcer agents containing the same EISAI CO., LTD. (JP) 1982-07-06 US disclosed