SCHEMBL7922648

SCHEMBL7922648

CCCc1c(OCCCOc2cc(OCc3ccccc3)c(-c3ccc(F)cc3)cc2CC)ccc2c1OC(C(=O)O)CC2.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.72
LTB4R2 Q9NPC1 8/20 0.72

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
SCHEMBL6755957 0.95 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL6899506 0.89 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL7109564 0.86 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL3679470 0.84 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9048309 0.83 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL6756224 0.81 LTB4R (0.57) LTB4RLTB4R2
SCHEMBL7172647 0.81 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL7122939 0.81 LTB4R (0.58) LTB4RLTB4R2
SCHEMBL7625803 0.81 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL6756193 0.80 LTB4R (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235785-B1 DRUG RESISTANCE ELI LILLY AND COMPANY 2001-05-22 US disclosed