SCHEMBL9150430

SCHEMBL9150430

OC(CCCc1ccccc1)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.55
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYSLTR2 Q9NS75 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
MEN1 O00255 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
PTGS1 P23219 1/20 0.51

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
SCHEMBL9577523 0.86 ALOX5 (0.58) ALOX5MAPK1KMT2ASMN1; SMN2CYSLTR2
SCHEMBL10656521 0.85 ALOX5 (0.69) ALOX5MAPK1KMT2ASMN1; SMN2CYSLTR2
SCHEMBL9577510 0.83 ALOX5 (0.60) ALOX5MAPK1KMT2ASMN1; SMN2CYSLTR2
SCHEMBL9151507 0.81 MRGPRX4 (0.51) ALOX5KMT2ASMN1; SMN2MRGPRX4FFAR1
SCHEMBL9151796 0.79 ALOX5 (0.43) ALOX5KMT2ASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL9147208 0.79 ALOX5 (0.49) ALOX5KMT2ASMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL9148495 0.79 ALOX5 (0.53) ALOX5KMT2ASMN1; SMN2MRGPRX4
SCHEMBL8459676 0.79 FDFT1 (0.52) PTGS1FFAR1
SCHEMBL9577515 0.78 CYP4F2 (0.59) ALOX5MAPK1KMT2ASMN1; SMN2TSHR
SCHEMBL27958523 0.78 SLC6A2 (0.43) ALOX5MAPK1KMT2ASMN1; SMN2CYSLTR2

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
EP-0666849-A4 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1995-12-13 EP disclosed
EP-0666849-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-16 EP disclosed
US-5358955-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1994-10-25 US disclosed
WO-1994010148-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-11 WO disclosed