SCHEMBL11536830

SCHEMBL11536830

CCCc1ccccc1OCCCOc1cccc(O)c1CC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.54
LTB4R2 Q9NPC1 7/20 0.54
PPARD Q03181 1/20 0.51
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL8939441 0.83 CYP1A2 (0.49) LTB4RMAPT
SCHEMBL17318047 0.80 CNR1 (0.55) MAPT
SCHEMBL11532707 0.80 PPARD (0.54) LTB4RLTB4R2PPARD
SCHEMBL1842242 0.79 HTR1A (0.47) LTB4RLTB4R2PPARD
SCHEMBL7999552 0.78 PPARD (0.60) LTB4RLTB4R2PPARDMAPTHPGD
SCHEMBL27485493 0.77 PPARD (0.56) LTB4RLTB4R2PPARDMAPTHPGD
SCHEMBL17961069 0.76 PPARD (0.55) LTB4RLTB4R2PPARDMAPTHPGD
SCHEMBL74512 0.76 PPARD (0.54) LTB4RLTB4R2PPARDMAPTHPGD
SCHEMBL5705647 0.76 GABRA1 (0.46)
SCHEMBL28669809 0.76 CNR1 (0.45) MAPT

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
US-4133889-A ANAPHYLAXIS ANTAGONISTS FISONS, LTD. (GB) 1979-01-09 US disclosed