SCHEMBL8890073

SCHEMBL8890073

CCOC(=O)CCCCCCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.58
▸ FFAR4 Q5NUL3 1/20 0.58
▸ LTA4H P09960 7/20 0.58
▸ EPHX2 P34913 1/20 0.56
▸ ALOX5 P09917 2/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55
▸ MGLL Q99685 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LTB4R Q15722 1/20 0.52
▸ LTB4R2 Q9NPC1 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL8888760 1.00 FFAR1 (0.58) FFAR1FFAR4LTA4HEPHX2ALOX5
SCHEMBL8887581 1.00 FFAR1 (0.58) FFAR1FFAR4LTA4HEPHX2ALOX5
SCHEMBL8890454 0.99 FFAR1 (0.59) FFAR1FFAR4LTA4HEPHX2ALOX5
SCHEMBL19825762 0.95 FFAR1 (0.61) FFAR1FFAR4LTA4HEPHX2ALOX5
SCHEMBL1171732 0.90 LTA4H (0.63) LTA4HNR1H4LMNAL3MBTL1ALDH1A1
SCHEMBL7748338 0.90 LTA4H (0.63) LTA4HNR1H4LMNAL3MBTL1ALDH1A1
SCHEMBL15104766 0.90 LTA4H (0.63) LTA4HNR1H4LMNAL3MBTL1ALDH1A1
SCHEMBL3091164 0.89 FFAR1 (0.68) FFAR1FFAR4LTA4HALOX5NR1H4
SCHEMBL1115103 0.88 LTA4H (0.65) LTA4HNR1H4LMNAL3MBTL1ALDH1A1
SCHEMBL20197069 0.88 FFAR1 (0.57) FFAR1FFAR4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 — — WO disclosed
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