SCHEMBL9063308

SCHEMBL9063308

O=C(OC(F)(F)F)C(c1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 2/20 0.38
SRC P12931 2/20 0.38
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTPN1 P18031 1/20 0.36
POLB P06746 1/20 0.36
CES1 P23141 2/20 0.35
CES2 O00748 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
SCHEMBL28356795 0.85 L3MBTL1 (0.47) L3MBTL1ATMLMNAMAPK1KMT2A
SCHEMBL7930466 0.82 MMP8 (0.51) L3MBTL1ATMKMT2ATDP1SMN1; SMN2
SCHEMBL26598414 0.81 KMT2A (0.58) L3MBTL1ATMLMNAKMT2A
SCHEMBL3682260 0.81 SRC (0.50) L3MBTL1ATMLMNAMAPK1KMT2A
SCHEMBL8692417 0.80 L3MBTL1 (0.70) L3MBTL1ATMKMT2ATDP1CYP2D6
SCHEMBL14382169 0.80 LMNA (0.49) L3MBTL1ATMLMNAKMT2ACYP2D6
SCHEMBL6236555 0.79 LMNA (0.57) L3MBTL1ATMLMNAMAPK1KMT2A
SCHEMBL7690988 0.79 L3MBTL1 (0.46) L3MBTL1ATMLMNAKMT2A
SCHEMBL28356796 0.79 L3MBTL1 (0.46) L3MBTL1ATMKMT2ACYP2D6SRC
SCHEMBL7955519 0.78 SRC (0.50) L3MBTL1ATMLMNAMAPK1TDP1

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
JP-8333303-A None JP disclosed
CN-109942406-A A kind of preparation method of 2- (3,5- bis--trifluoromethyl-phenyl) -2- rnethyl-propanoic acid 上海天慈国际药业有限公司 2019-06-28 CN disclosed
CN-104109121-A N'-aryl acetyl o-pyridine hydrazide derivatives, and preparation methods, pharmaceutical composition and application thereof INST MATERIA MEDICA CAMS 2014-10-22 CN disclosed
JP-H08333303-A ALPHA, ALPHA-BIS(TRIFLUOROMETHYL) ARYLACETIC ESTER AND ITS PRODUCTION NIPPON MEKTRON LTD 1996-12-17 JP disclosed