SCHEMBL9750855

SCHEMBL9750855

CCOC(=O)C(C)Oc1ccc2ccc(Oc3c(F)cc(C(F)(F)F)cc3Cl)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
IDH1 O75874 1/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
EPHX2 P34913 2/20 0.36
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G7 Q13093 1/20 0.36
PPOX P50336 1/20 0.36
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL9644063 0.94 KMT2A (0.43) KMT2AIDH1MEN1GAATDP1
SCHEMBL9634558 0.94 KMT2A (0.43) KMT2AIDH1MEN1GAATDP1
SCHEMBL11257695 0.92 KMT2A (0.46) KMT2AIDH1MEN1GAATDP1
SCHEMBL9711444 0.92 KMT2A (0.45) KMT2AIDH1MEN1GAATDP1
SCHEMBL9572378 0.90 KMT2A (0.40) KMT2AIDH1MEN1L3MBTL1LMNA
SCHEMBL9644988 0.88 MEN1 (0.39) KMT2AMEN1LMNATHRBTHRA
SCHEMBL9711436 0.85 MEN1 (0.41) KMT2AMEN1THRBTHRATLR7
SCHEMBL10644204 0.84 FFAR1 (0.52) KMT2AIDH1MEN1TDP1PPOX
SCHEMBL9633459 0.84 FFAR1 (0.52) KMT2AIDH1MEN1TDP1PPOX
SCHEMBL10845520 0.83 KMT2A (0.43) KMT2AIDH1MEN1L3MBTL1LMNA

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
US-5041609-A Plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US claimed