SCHEMBL10494249

SCHEMBL10494249

COc1ccc2c(c1)C(=O)C(O)=C([N+](=O)[O-])C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.46
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
IDO1 P14902 2/20 0.42
USP8 P40818 2/20 0.42

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
SCHEMBL5810326 0.82 LCK (0.56) LCKPRKACAPRKACGPRKACBESR1
SCHEMBL30003082 0.76 LCK (0.51) LCKPRKACAPRKACGPRKACBESR1
SCHEMBL23271650 0.76 LCK (0.51) LCKPRKACAPRKACGPRKACBESR1
SCHEMBL11765286 0.76 MEN1 (0.62) KMT2AMEN1POLBCACNA1BAPBA1
SCHEMBL9177813 0.75 ESR1 (0.51) LCKPRKACAPRKACGPRKACBESR1
SCHEMBL7451901 0.75 CA1 (0.57) LCKPRKACAPRKACGPRKACBESR1
SCHEMBL2252533 0.75 CA1 (0.57) LCKPRKACAPRKACGPRKACBESR1
SCHEMBL29173163 0.73 ESR1 (0.67) LCKPRKACAPRKACGPRKACBESR1
SCHEMBL10885799 0.71 CA1 (0.53) LCKPRKACAPRKACGPRKACBESR1
SCHEMBL2993382 0.71 CA1 (0.53) LCKPRKACAPRKACGPRKACBESR1

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-4888026-A HAIR DYES; OXIDATION RESISTANCE L'OREAL (FR) 1989-12-19 US claimed
US-4888026-A HAIR DYES; OXIDATION RESISTANCE L'OREAL (FR) 1989-12-19 US disclosed