SCHEMBL8949538

SCHEMBL8949538

CCc1cc(C(C)=O)c(O)cc1OCCCOc1ccc2c(=O)c3cc(C(=O)O)ccc3oc2c1.[Na].[Na]

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.70
LTB4R2 Q9NPC1 9/20 0.68
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
PTGER1 P34995 1/20 0.54
PTGER3 P43115 1/20 0.54
PTGER2 P43116 1/20 0.54
KMT2A Q03164 1/20 0.54
PTGDR Q13258 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ACSL1 P33121 2/20 0.44
ACSL6 Q9UKU0 2/20 0.44
XDH P47989 1/20 0.43
TTR P02766 1/20 0.42

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
SCHEMBL8949625 0.99 LTB4R (0.71) LTB4RLTB4R2KDM4EMEN1ALDH1A1
SCHEMBL8949530 0.98 LTB4R (0.70) LTB4RLTB4R2KDM4EMEN1ALDH1A1
SCHEMBL8949584 0.91 LTB4R (0.69) LTB4RLTB4R2KDM4EMEN1ALDH1A1
SCHEMBL8949534 0.91 LTB4R (0.84) LTB4RLTB4R2KDM4EMEN1ALDH1A1
SCHEMBL11862585 0.81 TP53 (0.69) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL11859295 0.79 KMT2A (0.69) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL8949612 0.77 LTB4R (0.80) LTB4RLTB4R2TP53
SCHEMBL10454274 0.77 TP53 (0.62) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL11860605 0.77 KDM4E (0.72) LTB4RKDM4EMEN1ALDH1A1TP53
SCHEMBL8949619 0.76 LTB4R (0.78) LTB4RLTB4R2TP53

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-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed