SCHEMBL7633429

SCHEMBL7633429

CCCc1c(OCCCOc2cc(O)cc(-n3cccc3)c2CC)cccc1Oc1ccccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 17/20 0.49
LTB4R2 Q9NPC1 14/20 0.49
HSP90AA1 P07900 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6803419 0.86 LTB4R (0.60) LTB4RLTB4R2
SCHEMBL6807550 0.83 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL7633423 0.77 LTB4R (0.48) LTB4RLTB4R2HSP90AA1MAPTHTT
SCHEMBL6807256 0.76 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL7633418 0.76 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL8949707 0.74 LTB4R (0.79) LTB4RLTB4R2
SCHEMBL6892457 0.73 LTB4R (0.83) LTB4RLTB4R2
SCHEMBL6806846 0.73 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL6806853 0.73 LTB4R (0.62) LTB4RLTB4R2
SCHEMBL6806717 0.73 LTB4R (0.54) LTB4RLTB4R2

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
EP-1231938-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
WO-2001034137-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed