SCHEMBL218600

SCHEMBL218600

OC1=Cc2cccc3cc4ccccc4c1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.45
ALOX5 P09917 1/20 0.43
CYP1A2 P05177 4/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TRPM4 Q8TD43 1/20 0.38
DNMT1 P26358 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MCL1 Q07820 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NQO2 P16083 3/20 0.38
NQO1 P15559 2/20 0.37
HPGD P15428 4/20 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
SCHEMBL4924307 0.79 CES1 (0.45) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL21832124 0.79 CES1 (0.49) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL6542158 0.77 CYP1A2 (0.46) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL6542163 0.77 CES1 (0.44) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL30913181 0.75 CES1 (0.41) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL27435879 0.71 CES1 (0.39) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL21832147 0.71 CES1 (0.42) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL6503129 0.70 CES1 (0.51) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL29358751 0.70 CES1 (0.51) CES1ALOX5CYP1A2ERBB2FYN
SCHEMBL4977411 0.69 CES1 (0.43) CES1ALOX5CYP1A2ERBB2FYN

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
US-8088554-B2 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD (JP) 2012-01-03 US disclosed
US-20100151382-A1 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-17 US disclosed
US-20060234158-A1 Bottom resist layer composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-10-19 US disclosed