SCHEMBL11042453

SCHEMBL11042453

CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCO)CO

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.74
MAPT P10636 2/20 0.74
MEN1 O00255 2/20 0.74
CYP3A4 P08684 2/20 0.74
ALOX15 P16050 2/20 0.74
ALDH1A1 P00352 1/20 0.74
UGT1A1 P22309 1/20 0.74
SQLE Q14534 6/20 0.52
ICMT O60725 1/20 0.47
BTN3A1 O00481 2/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL15361567 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL31312707 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL7116219 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL30170465 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10323892 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL4389533 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3084544 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL900303 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL900304 1.00 KMT2A (0.74) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL17953126 1.00 KMT2A (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4386227-A DIOLS PRODUCED BY MICROBIOLOGICAL OXIDATION EISAI CO., LTD. (JP) 1983-05-31 US claimed
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