SCHEMBL12424809

SCHEMBL12424809

COc1ccc(C2=C3C(=O)NC(c4ccc(C)cc4)=C3C(=O)N2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
ALOX5 P09917 2/20 0.50
PTGS2 P35354 2/20 0.49
GSK3B P49841 2/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 2/20 0.45
ALKBH3 Q96Q83 2/20 0.44
MEN1 O00255 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
BACE1 P56817 1/20 0.42
EDNRA P25101 1/20 0.41

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
SCHEMBL7004111 0.93 PTGS2 (0.54) PTGS2GSK3BKMT2AMEN1ME2
SCHEMBL815442 0.87 PTGS2 (0.50) ACHEALOX5PTGS2NPC1RAB9A
SCHEMBL12425030 0.86 GSK3B (0.57) PTGS2GSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL22954264 0.85 ESR2 (0.58) PTGS2GSK3BNPC1RAB9AME2
SCHEMBL14378086 0.83 GSK3B (0.50) PTGS2GSK3BME2ME1ME3
SCHEMBL12509934 0.80 PTGS2 (0.45) PTGS2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9833136 0.80 PTGS2 (0.47) PTGS2GSK3BNPC1RAB9AKMT2A
SCHEMBL25026520 0.79 ACHE (0.48) ACHEPTGS2RAB9AKMT2AMEN1
SCHEMBL7753950 0.79 CYP2D6 (0.46) PTGS2GSK3BNPC1RAB9AKMT2A
SCHEMBL16856686 0.79 PTGS2 (0.44) PTGS2KMT2AMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 US disclosed
US-8287777-B2 Method of protecting organic material from light BASF SE (DE) 2012-10-16 US disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
US-20100006806-A1 Method of protecting organic material from light BASF SE (DE) 2010-01-14 US disclosed