SCHEMBL9724303

SCHEMBL9724303

COc1cc(C(C)(C)C)cc(OC)c1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CA9 Q16790 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2029772 0.77 CYP3A4 (0.78) CYP3A4MAPK1SMN1; SMN2USP2KMT2A
SCHEMBL12248741 0.77 CYP3A4 (0.60) CYP3A4MAPK1SMN1; SMN2USP2KMT2A
SCHEMBL4743848 0.77 CYP3A4 (0.66) CYP3A4MAPK1SMN1; SMN2USP2KMT2A
SCHEMBL13235630 0.76 CYP3A4 (0.46) CYP3A4MAPK1SMN1; SMN2USP2KMT2A
SCHEMBL3620853 0.76 NR1H4 (0.56) CYP3A4MAPK1SMN1; SMN2KMT2APKM
SCHEMBL23327352 0.75 CYP3A4 (0.53) CYP3A4MAPK1SMN1; SMN2USP2KMT2A
SCHEMBL5209995 0.75 CYP3A4 (0.53) CYP3A4MAPK1SMN1; SMN2USP2KMT2A
SCHEMBL23327273 0.75 CYP3A4 (0.53) CYP3A4MAPK1SMN1; SMN2USP2KMT2A
SCHEMBL116728 0.75 CYP3A4 (0.53) CYP3A4MAPK1SMN1; SMN2USP2KMT2A
SCHEMBL23327143 0.75 MAPK1 (0.53) CYP3A4MAPK1SMN1; SMN2USP2KMT2A

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
JP-4342541-A None JP disclosed
JP-H04342541-A 2,6-ALKOXYPHENYL ALKYLKETONE AND HERBICIDAL DERIVATIVES RHONE POULENC AGROCHIM 1992-11-30 JP disclosed