SCHEMBL9147208

SCHEMBL9147208

O=C(O)C=NOC(CCCc1ccccc1)c1cccc(OCc2ccc3ccccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.49
MRGPRX4 Q96LA9 1/20 0.43
FFAR1 O14842 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
PTGIR P43119 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9430315 0.89 ALOX5 (0.44) ALOX5MRGPRX4FFAR1CYSLTR2CYSLTR1
SCHEMBL9150430 0.79 ALOX5 (0.55) ALOX5MRGPRX4FFAR1CYSLTR2CYSLTR1
SCHEMBL9151507 0.75 MRGPRX4 (0.51) ALOX5MRGPRX4FFAR1KMT2ASMN1; SMN2
SCHEMBL9151796 0.74 ALOX5 (0.43) ALOX5MRGPRX4FFAR1CYSLTR2CYSLTR1
SCHEMBL9151512 0.71 ALOX5 (0.52) ALOX5MRGPRX4FFAR1CYSLTR2CYSLTR1
SCHEMBL9151518 0.70 MRGPRX4 (0.58) MRGPRX4FFAR1
SCHEMBL9431850 0.70 ALOX5 (0.44) ALOX5MRGPRX4FFAR1CYSLTR2CYSLTR1
SCHEMBL9148495 0.69 ALOX5 (0.53) ALOX5MRGPRX4KMT2ASMN1; SMN2
SCHEMBL10431671 0.69 ALOX5 (0.53) ALOX5MRGPRX4KMT2ASMN1; SMN2
SCHEMBL4847215 0.69 CYSLTR2 (0.69) MRGPRX4FFAR1CYSLTR2CYSLTR1

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
US-5358955-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1994-10-25 US claimed
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