SCHEMBL21779782

SCHEMBL21779782

Bc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
PTGS2 P35354 4/20 0.52
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 5/20 0.39
ALOX12 P18054 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 1/20 0.38
MGAM O43451 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
SCHEMBL1228536 0.90 ALOX5 (0.57) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL18859066 0.90 ALOX5 (0.57) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL1228538 0.90 ALOX5 (0.57) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL29583508 0.90 ALOX5 (0.57) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL1229792 0.89 ALOX5 (0.56) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL22653280 0.88 ALOX5 (0.55) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL10182423 0.85 ALOX5 (0.53) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL12094452 0.84 ALOX5 (0.52) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL18859049 0.84 ALOX5 (0.52) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL17152747 0.84 ALOX5 (0.52) ALOX5PTGS2CYP1A2CYP3A4CYP2C9

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
EP-2500364-B1 SUPPORTED NON-METALLOCENE CATALYST PREPARATION METHOD AND APPLICATION THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2020-03-04 EP disclosed