SCHEMBL17174087

SCHEMBL17174087

O=COc1cccc(-c2ccc3ccc4ccc(-c5cc(C(=O)O)cc(-c6ccc7ccc8ccc(-c9cccc(C(=O)O)c9)nc8c7n6)c5)nc4c3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.42
▸ ERN1 O75460 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MAP2K4 P45985 1/20 0.36
▸ MAPKAPK3 Q16644 1/20 0.36
▸ MAPK6 Q16659 1/20 0.36

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
SCHEMBL17174082 0.98 KMO (0.44) KMOERN1MRGPRX4STIM1ORAI1
SCHEMBL17178142 0.86 KMO (0.56) KMOPARP1GAADHODHKEAP1
SCHEMBL17178141 0.83 KMO (0.59) KMOPARP1KEAP1KDM4EALDH1A1
SCHEMBL14927359 0.82 KMO (0.58) KMOERN1MRGPRX4LMNAGAA
SCHEMBL16559874 0.79 RARA (0.42) KMOERN1AKR1C3DHODH
SCHEMBL16559880 0.77 CTRC (0.37) DHODHKDM4EGPBAR1
SCHEMBL6054726 0.76 AKR1C3 (0.61) KMOMRGPRX4AKR1C3KDM4E
SCHEMBL17174083 0.75 CTRC (0.50) KMOPARP1GAADHODHKDM4E
SCHEMBL17174086 0.75 CHEK1 (0.55) KMOPARP1KDM4EALDH1A1
SCHEMBL17146657 0.75 MAPT (0.56) KMOPARP1LMNAKDM4EALDH1A1

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
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 — — US disclosed
US-20150295262-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES, INC. (JP) 2015-10-15 — — US disclosed
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