SCHEMBL1229792

SCHEMBL1229792

CC(C)(C)c1cc(C=Nc2ccccc2N=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[Co]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.56
PTGS2 P35354 4/20 0.56
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALOX12 P18054 1/20 0.42
HIF1A Q16665 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 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
SCHEMBL29583508 0.98 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
SCHEMBL1228538 0.98 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
SCHEMBL1228536 0.98 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
SCHEMBL18859066 0.98 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
Hydrochloric Acid SCHEMBL22653280 0.96 ALOX5 (0.55) ALOX5PTGS2CA12CA2CA9
SCHEMBL18859049 0.92 ALOX5 (0.52) ALOX5PTGS2CA12CA2CA9
Acetic Acid SCHEMBL1229222 0.91 ALOX5 (0.57) ALOX5PTGS2CA12CA2CA9
SCHEMBL10182423 0.90 ALOX5 (0.53) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL12094452 0.89 ALOX5 (0.52) ALOX5PTGS2CA12CA2CA9
SCHEMBL21779782 0.89 ALOX5 (0.52) ALOX5PTGS2CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110040070-A1 ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed