SCHEMBL9023334

SCHEMBL9023334

CCOC(=O)c1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.54
GABRB1 P18505 2/20 0.54
GABRA3 P34903 2/20 0.54
GABRB2 P47870 2/20 0.54
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRA4 P48169 1/20 0.54
GABRE P78334 1/20 0.54
GABRA6 Q16445 1/20 0.54
GABRG1 Q8N1C3 1/20 0.54
GABRG3 Q99928 1/20 0.54
GABRQ Q9UN88 1/20 0.54
JAK2 O60674 3/20 0.53
JAK3 P52333 3/20 0.53
HTR2A P28223 3/20 0.52
PPIA P62937 1/20 0.48

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
SCHEMBL7390324 0.85 HTR2A (0.55) HTR2AEDNRAPTGER1
SCHEMBL27528777 0.84 NR4A2 (0.54) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL11067101 0.83 HTR2A (0.53) HTR2AEDNRAHTT
SCHEMBL10930498 0.82 NR4A2 (0.51) GABRA1GABRB2HTR2A
SCHEMBL8615935 0.81 HTR2A (0.52) HTR2AEDNRAPTGER1
SCHEMBL30960130 0.81 HTR2A (0.52) HTR2AEDNRAHTTPTGER1
SCHEMBL29138513 0.81 HTR2A (0.52) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL23805270 0.81 HTR2A (0.52) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL23805228 0.80 HTR2A (0.51) GABRA1GABRB1GABRA3GABRB2GABRP
SCHEMBL12558840 0.80 HTR2A (0.57) GABRA1GABRB1GABRA3GABRB2GABRP

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 5 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
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