SCHEMBL11301040

SCHEMBL11301040

CC(C)=CCCC(C)=CCCC(C=O)=CCCC(C)=CCO

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MAPT P10636 2/20 0.71
MEN1 O00255 2/20 0.71
CYP3A4 P08684 2/20 0.71
ALOX15 P16050 2/20 0.71
ALDH1A1 P00352 2/20 0.71
UGT1A1 P22309 1/20 0.71
SQLE Q14534 5/20 0.53
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ICMT O60725 1/20 0.45

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
SCHEMBL11310163 1.00 KMT2A (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11301036 1.00 KMT2A (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11310161 1.00 KMT2A (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1301873 0.87 KMT2A (0.56) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1301876 0.87 KMT2A (0.56) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL1301879 0.87 KMT2A (0.56) KMT2AMAPTMEN1CYP3A4ALOX15
Farnesol SCHEMBL3052544 0.85 KMT2A (0.83) KMT2AMAPTMEN1CYP3A4ALOX15
Geranylgeraniol SCHEMBL23814969 0.84 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL7944378 0.84 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Farnesol SCHEMBL7546574 0.84 KMT2A (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260551-A ALIPHATIC OR AROMATIC ESTERS, ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-07 US disclosed
US-4192953-A TREATMENT OF PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1980-03-11 US disclosed
US-4059641-A ANTIULCER SANKYO COMPANY LIMITED (JA) 1977-11-22 US disclosed