SCHEMBL11021028

SCHEMBL11021028

CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 1/20 0.50
UGT1A1 P22309 1/20 0.50
SQLE Q14534 5/20 0.48
BTN3A1 O00481 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
POLB P06746 1/20 0.45
KDM1A O60341 1/20 0.44
ICMT O60725 1/20 0.44

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
SCHEMBL11018787 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL5373410 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3087751 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11023522 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23925025 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL5373407 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23924906 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL25220642 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23925202 1.00 KMT2A (0.50) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL28971392 1.00 KMT2A (0.50) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050853-B1 POLYPRENYL KETONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, A PHARMACEUTICAL PREPARATION CONTAINING SAID DERIVATIVE AND THE USE OF THE SAME Eisai Co., Ltd. (JP) 1985-01-02 EP claimed
US-4456558-A ANTITUMOR, HYPOTENSIVE EISAI CO., LTD. (JP) 1984-06-26 US claimed
EP-0050853-A1 Polyprenyl ketone derivatives, a process for their preparation, a pharmaceutical preparation containing said derivative and the use of the same Eisai Co., Ltd. (JP) 1982-05-05 EP claimed
EP-0050853-B1 POLYPRENYL KETONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, A PHARMACEUTICAL PREPARATION CONTAINING SAID DERIVATIVE AND THE USE OF THE SAME Eisai Co., Ltd. (JP) 1985-01-02 EP disclosed
US-4468459-A Process for the preparation of polyprenyl ketone derivatives EISAI CO., LTD. (JP) 1984-08-28 US disclosed
US-4456558-A ANTITUMOR, HYPOTENSIVE EISAI CO., LTD. (JP) 1984-06-26 US disclosed
EP-0050853-A1 Polyprenyl ketone derivatives, a process for their preparation, a pharmaceutical preparation containing said derivative and the use of the same Eisai Co., Ltd. (JP) 1982-05-05 EP disclosed