SCHEMBL22927227

SCHEMBL22927227

O=C1CCC(=O)c2cc(Sc3cccc4c3C(=O)OC4=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALOX15 P16050 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ PTGS2 P35354 3/20 0.30
▸ BCL2 P10415 1/20 0.30
▸ MCL1 Q07820 1/20 0.30

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
SCHEMBL15695595 0.87 KDM4E (0.42) KDM4ENSD2MAPTMAPK1ALOX15
SCHEMBL301317 0.77 TDP1 (0.48) KDM4ENSD2MAPTMAPK1ALOX15
SCHEMBL11386689 0.76 MAPT (0.64) KDM4ENSD2MAPTMAPK1ALOX15
SCHEMBL16543902 0.71 MAOA (0.44) ALOX15TDP1MAOAMAOBBCL2
SCHEMBL6910829 0.69 TDP1 (0.48) KDM4ENSD2MAPTMAPK1ALOX15
SCHEMBL29383846 0.68 MAOA (0.53) ALOX15TDP1MAOAMAOBTYMS
SCHEMBL301318 0.68 MAOA (0.53) ALOX15TDP1MAOAMAOBTYMS
SCHEMBL84478 0.67 MAOA (0.53) ALOX15TDP1MAOAMAOBTYMS
SCHEMBL19034747 0.67 MAOA (0.53) ALOX15TDP1MAOAMAOBTYMS
SCHEMBL11387500 0.67 ALOX15 (0.44) KDM4ENSD2MAPTMAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021256237-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION APPARATUS, AND POLYIMIDE COMPOUND 富士フイルム株式会社 2021-12-23 — — WO disclosed
WO-2021014821-A1 M-PHENYLENEDIAMINE COMPOUND, POLYMER AND METHOD FOR PRODUCING SAME, GAS SEPARATION MEMBRANE USING THIS POLYMER, GAS SEPARATION MODULE AND GAS SEPARATION APPARATUS 富士フイルム株式会社 2021-01-28 — — WO disclosed
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