SCHEMBL8567956

SCHEMBL8567956

COc1cccc(Oc2cc([N+](=O)[O-])ccc2C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
PGGT1B P53609 1/20 0.48
MAPT P10636 7/20 0.48
HPGD P15428 2/20 0.48
AR P10275 2/20 0.47
LMNA P02545 7/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
EYA2 O00167 1/20 0.44
MAOB P27338 1/20 0.44
POLB P06746 2/20 0.43
VCAM1 P19320 1/20 0.43
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL11097059 0.92 LMNA (0.52) TBXA2RFNTAFNTBPGGT1BMAPT
SCHEMBL2030047 0.83 ESRRA (0.51) MAPTHPGDLMNAHTTSMN1; SMN2
SCHEMBL1644299 0.82 HTT (0.60) MAPTHPGDARLMNAHTT
SCHEMBL22867963 0.82 AR (0.66) FNTAFNTBPGGT1BARSMN1; SMN2
SCHEMBL5315872 0.79 MAPT (0.67) TBXA2RMAPTHPGDLMNAHTT
SCHEMBL30676036 0.78 ESRRA (0.54) MAPTARLMNAHTTSMN1; SMN2
SCHEMBL26926649 0.78 ESRRA (0.54) MAPTARLMNAHTTSMN1; SMN2
SCHEMBL12595068 0.77 AR (0.65) MAPTARLMNAHTTALDH1A1
SCHEMBL4790993 0.77 MAPT (0.71) TBXA2RMAPTHPGDLMNAHTT
SCHEMBL25386626 0.77 NFE2L2 (0.55) TBXA2RMAPTHPGDLMNAHTT

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-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed