SCHEMBL29774161

SCHEMBL29774161

CC(C)=CCC/C(C)=C\C(O)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
UGT1A1 P22309 1/20 0.48
SQLE Q14534 5/20 0.47
KDM4E B2RXH2 3/20 0.46
ATM Q13315 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL11584608 0.82 KMT2A (0.58) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL356392 0.82 KMT2A (0.58) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL11586065 0.82 KMT2A (0.58) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL808086 0.80 KMT2A (0.56) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL1616971 0.80 KMT2A (0.56) KMT2AMEN1CYP3A4ALOX15MAPT
Water SCHEMBL9280359 0.80 KMT2A (0.56) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL1617090 0.80 KMT2A (0.56) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL16359707 0.78 KMT2A (0.54) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL7687526 0.78 KMT2A (0.54) KMT2AMEN1CYP3A4ALOX15MAPT
SCHEMBL6664660 0.78 KMT2A (0.67) KMT2AMEN1CYP3A4ALOX15MAPT

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
CN-113081991-B Pharmaceutical dosage forms and uses thereof 南京三迭纪医药科技有限公司 2022-07-15 CN disclosed