SCHEMBL9022751

SCHEMBL9022751

COC(=O)c1cc(O)c2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
P2RY14 Q15391 1/20 0.57
ALOX5 P09917 3/20 0.53
MAOB P27338 3/20 0.52
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
MRGPRX4 Q96LA9 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SRD5A2 P31213 1/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NR4A2 P43354 1/20 0.46

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
SCHEMBL2931013 0.88 MEN1 (0.56) LMNAHPGDP2RY14MAOBLTB4R
SCHEMBL9300644 0.86 P2RY14 (0.78) LMNAHPGDP2RY14ALOX5MAOB
SCHEMBL9023224 0.85 LTB4R (0.59) LMNAHPGDP2RY14ALOX5MAOB
SCHEMBL1779167 0.84 ALOX5 (0.59) LMNAHPGDP2RY14ALOX5MAOB
SCHEMBL9022950 0.84 P2RY14 (0.53) LMNAHPGDP2RY14ALOX5MAOB
SCHEMBL9022773 0.84 P2RY14 (0.53) LMNAHPGDP2RY14ALOX5MAOB
SCHEMBL9022779 0.84 LTB4R (0.56) LMNAHPGDP2RY14ALOX5MAOB
SCHEMBL9023228 0.84 P2RY14 (0.53) LMNAHPGDP2RY14ALOX5MAOB
SCHEMBL27416082 0.83 P2RY14 (0.55) LMNAHPGDP2RY14ALOX5MAOB
SCHEMBL1777985 0.82 ALOX5 (0.60) LMNAHPGDP2RY14ALOX5MAOB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
US-5468898-A Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-21 US disclosed
CN-1087907-A Heteroaryl naphthalene as white (cell) triolefin biosynthesis inhibitor MERCK FROSST CANADA INC (CA) 1994-06-15 CN disclosed
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed