SCHEMBL9302788

SCHEMBL9302788

O=Cc1cc(OCc2ccccc2)ccc1C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.54
NR4A2 P43354 2/20 0.54
MAOB P27338 4/20 0.53
PTGES O14684 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
MAOA P21397 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
SMPD1 P17405 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PTPN1 P18031 1/20 0.47

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
SCHEMBL9304203 0.91 MAOB (0.48) SRD5A2NR4A2MAOBPTGESSMN1; SMN2
SCHEMBL5119495 0.83 SRD5A2 (0.59) SRD5A2NR4A2MAOBPTGESSMN1; SMN2
SCHEMBL29481015 0.83 MAOB (0.71) SRD5A2NR4A2MAOBPTGESSMN1; SMN2
SCHEMBL26863 0.83 MAOB (0.71) SRD5A2NR4A2MAOBPTGESSMN1; SMN2
Benzophenone SCHEMBL28215327 0.82 MAOB (0.69) SRD5A2NR4A2MAOBPTGESSMN1; SMN2
SCHEMBL14315506 0.81 SRD5A2 (0.60) SRD5A2NR4A2MAOBPTGESSMN1; SMN2
SCHEMBL8618024 0.81 SRD5A2 (0.57) SRD5A2NR4A2MAOBPTGESSMN1; SMN2
SCHEMBL8408190 0.81 MEN1 (0.63) MAOBALDH1A1MAOAL3MBTL1MEN1
SCHEMBL7383227 0.80 TUBB1 (0.53) MAOBSMN1; SMN2ALDH1A1
SCHEMBL8327914 0.79 MAOA (0.61) MAOBMAOAMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281720-A Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents MERCK FROSST CANADA, INC. 1994-01-25 US disclosed
US-5227399-A Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1993-07-13 US disclosed
EP-0501579-A1 Naphthalene lactones as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed
EP-0501578-A1 Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-09-02 EP disclosed