SCHEMBL7995901

SCHEMBL7995901

CC=CC(C=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.33
SRC P12931 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MIF P14174 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
DPP4 P27487 2/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL7995898 1.00 CYP2D6 (0.38) CYP2D6KMT2AMEN1ATMCYP1A2
SCHEMBL31028945 0.89 MEN1 (0.41) CYP2D6KMT2AMEN1ATMTDP1
SCHEMBL548634 0.81 CYP2D6 (0.48) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL5243253 0.79 CYP2D6 (0.46) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL1579572 0.77 CYP1A2 (0.53) CYP2D6CYP1A2TDP1LMNAMAPK1
SCHEMBL15572433 0.77 CYP1A2 (0.53) CYP2D6CYP1A2TDP1LMNAMAPK1
SCHEMBL2398537 0.75 MEN1 (0.38) CYP2D6KMT2AMEN1ATMTDP1
SCHEMBL2398534 0.75 MEN1 (0.38) CYP2D6KMT2AMEN1ATMTDP1
SCHEMBL11470444 0.73 CYP2D6 (0.41) CYP2D6KMT2ASRCLMNAMAPK1
SCHEMBL1335929 0.73 CYP2D6 (0.41) CYP2D6KMT2ASRCLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230389594-A1 MICROBIAL FERMENTATION METHOD FOR IMPROVING TOBACCO QUALITY YUNNAN ACADEMY OF TOBACCO AGRICULTURAL SCIENCES (CN) 2023-12-07 US disclosed
EP-0975224-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 2000-02-02 EP disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
WO-1998033385-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 1998-08-06 WO disclosed