SCHEMBL8843327

SCHEMBL8843327

CCc1cc(-c2ccc(F)cc2)c(OCc2ccccc2)c(I)c1OCCCCl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 14/20 0.40
▸ LTB4R2 Q9NPC1 14/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BCHE P06276 2/20 0.38
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ GSTP1 P09211 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL6902570 0.79 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL8561280 0.72 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL8569951 0.72 PTGER1 (0.39) LTB4RLTB4R2BCHE
SCHEMBL27300408 0.70 LTB4R (0.54) LTB4RLTB4R2FFAR4
SCHEMBL6899767 0.70 NR1H4 (0.46) LTB4RLTB4R2GSTP1
SCHEMBL8564257 0.70 LTB4R (0.44) LTB4RLTB4R2FFAR4
SCHEMBL6757535 0.69 LTB4R (0.50) LTB4RLTB4R2
SCHEMBL6900710 0.69 PIN1 (0.41) LTB4RLTB4R2SMN1; SMN2GSTP1
SCHEMBL6899543 0.68 LTB4R (0.40) LTB4RLTB4R2SMN1; SMN2GSTP1
SCHEMBL6756183 0.67 LTB4R (0.48) 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-0777472-A2 METHODS FOR IDENTIFYING AND TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1997-06-11 — — EP disclosed
WO-1996006604-A2 METHODS FOR IDENTIFYING AND TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-03-07 — — WO disclosed
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