SCHEMBL30658490

SCHEMBL30658490

CC(C)Oc1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.61
HIF1A Q16665 1/20 0.61
CASP6 P55212 1/20 0.58
TSHR P16473 2/20 0.58
PDK1 Q15118 1/20 0.57
MYC P01106 2/20 0.55
MAX P61244 2/20 0.55
HCAR3 P49019 7/20 0.54
LMNA P02545 1/20 0.50
TTR P02766 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL528040 1.00 EP300 (0.61) EP300HIF1ACASP6TSHRPDK1
SCHEMBL2550259 0.88 PDK1 (0.72) EP300HIF1ACASP6TSHRPDK1
SCHEMBL527425 0.86 HCAR3 (0.55) EP300HIF1ACASP6TSHRMYC
SCHEMBL28107004 0.86 MAPK1 (0.58) EP300HIF1ATSHRPDK1MYC
SCHEMBL1560385 0.85 AR (0.58) EP300HIF1APDK1MYCMAX
SCHEMBL17775445 0.85 PDK1 (0.54) EP300HIF1ACASP6TSHRPDK1
SCHEMBL16392507 0.85 PDK1 (0.54) EP300HIF1ATSHRPDK1MYC
SCHEMBL16974724 0.85 CASP6 (0.63) EP300HIF1ACASP6TSHRMYC
SCHEMBL31003858 0.85 CASP6 (0.63) EP300HIF1ACASP6TSHRMYC
SCHEMBL223878 0.83 TTR (0.64) CASP6TSHRMYCMAXHCAR3

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
WO-2023230059-A1 MDM2 DEGRADER NEWAVE PHARMACEUTICAL INC. (US) 2023-11-30 WO disclosed