SCHEMBL27296155

SCHEMBL27296155

[CH2]CCc1cc(OCc2ccccc2)c(-c2ccc(F)cc2)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
FFAR4 Q5NUL3 2/20 0.43
LTB4R Q15722 7/20 0.43
LTB4R2 Q9NPC1 7/20 0.43
PTGER1 P34995 3/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
FFAR1 O14842 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GSTP1 P09211 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL8564257 0.86 LTB4R (0.44) L3MBTL1FFAR4LTB4RLTB4R2PTGER1
SCHEMBL27300408 0.83 LTB4R (0.54) FFAR4LTB4RLTB4R2PTGER1RXRA
SCHEMBL6902570 0.78 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL8561280 0.77 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL6757535 0.76 LTB4R (0.50) LTB4RLTB4R2
SCHEMBL6756183 0.75 LTB4R (0.48) LTB4RLTB4R2
SCHEMBL8568443 0.74 LTB4R (0.77) FFAR4LTB4RLTB4R2PTGER1FFAR1
Iodide SCHEMBL8565212 0.73 LTB4R (0.47) LTB4RLTB4R2
SCHEMBL8566998 0.73 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL6759116 0.73 NR1H4 (0.47) 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
CN-1035001-C Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1997-05-28 CN disclosed