SCHEMBL10508690

SCHEMBL10508690

O=C1OC(O)c2cc(/C=C/c3ccc(Cl)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.43
DAO P14920 1/20 0.40
KCNA3 P22001 1/20 0.40
CYP1A2 P05177 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
SIRT1 Q96EB6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
RELA Q04206 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
ELANE P08246 1/20 0.34

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
SCHEMBL10508695 1.00 AHR (0.43) AHRDAOKCNA3CYP1A2ALOX5
SCHEMBL10506622 0.88 MAOA (0.48) DAOMAOBMAOAKDM4ERELA
SCHEMBL10506627 0.88 MAOA (0.48) DAOMAOBMAOAKDM4ERELA
SCHEMBL10507593 0.83 MEN1 (0.48) CYP1A2MAOBMAOAKDM4EMAPT
SCHEMBL10507599 0.83 MEN1 (0.48) CYP1A2MAOBMAOAKDM4EMAPT
SCHEMBL30546243 0.82 S100A4 (0.41) KDM4EMAPTRETKDR
SCHEMBL87581 0.82 S100A4 (0.41) KDM4EMAPTRETKDR
SCHEMBL10507526 0.82 RELA (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL10507533 0.82 RELA (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL10509366 0.81 CYP19A1 (0.51) PTGS1PTGS2MAOBNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164593-B1 ANTI-INFLAMMATORY PHTHALAZINONES FISONS CORPORATION (US) 1989-11-15 EP disclosed
US-4665181-A Anti-inflammatory phthalazinones PENNWALT CORPORATION (US) 1987-05-12 US disclosed
EP-0164593-A1 Anti-inflammatory phthalazinones FISONS CORPORATION (US) 1985-12-18 EP disclosed