SCHEMBL9501222

SCHEMBL9501222

CC(C)(C)c1cc(N2C(=O)C3=C(C2=O)C2CCC3C2)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 2/20 0.36
HIF1A Q16665 2/20 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
SCHEMBL11519790 0.76 ALDH1A1 (0.50) CA2CA1ALDH1A1GAACYP1A2
SCHEMBL11843392 0.73 MEN1 (0.41) CA2CA1GAACYP1A2CYP2C9
SCHEMBL11837023 0.73 KMT2A (0.41) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL9596596 0.72 PTPN1 (0.49) CA2CA1GAAMEN1KMT2A
SCHEMBL11451869 0.71 HSP90AA1 (0.48) CA2CA1ALDH1A1GAACYP1A2
SCHEMBL11753705 0.71 TSHR (0.51) ALDH1A1KDM4ESMN1; SMN2POLBKMT2A
SCHEMBL11847311 0.71 CA2 (0.38) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL11520913 0.69 CA2 (0.46) CA2CA1ALDH1A1GAACYP1A2
SCHEMBL13057569 0.69 CA2 (0.39) CA2CA1ALDH1A1GAAKDM4E
SCHEMBL11518256 0.69 TDP1 (0.41) CA2CA1ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544843-A1 HINDERED PHENOLIC NORBORNENE DICARBOXIMIDE MONSANTO COMPANY (US) 1993-06-09 EP claimed
WO-1992003418-A1 HINDERED PHENOLIC NORBORNENE DICARBOXIMIDE MONSANTO COMPANY (US) 1992-03-05 WO claimed
EP-0544843-A1 HINDERED PHENOLIC NORBORNENE DICARBOXIMIDE MONSANTO COMPANY (US) 1993-06-09 EP disclosed
EP-0544843-A1 HINDERED PHENOLIC NORBORNENE DICARBOXIMIDE MONSANTO COMPANY (US) 1993-06-09 EP disclosed
WO-1992003418-A1 HINDERED PHENOLIC NORBORNENE DICARBOXIMIDE MONSANTO COMPANY (US) 1992-03-05 WO disclosed
WO-1992003418-A1 HINDERED PHENOLIC NORBORNENE DICARBOXIMIDE MONSANTO COMPANY (US) 1992-03-05 WO disclosed