SCHEMBL11565229

SCHEMBL11565229

CC(C)COc1ccc(NC(=O)C2(C)CC2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 1/20 0.44
FAAH O00519 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.40
ABL1 P00519 1/20 0.39
TP53 P04637 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 2/20 0.39
ACACB O00763 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL11565024 0.85 MAPT (0.49) MAPTKMT2ANPC1LMNARAB9A
SCHEMBL11564075 0.84 GLA (0.49) MAPTKMT2ANPC1LMNARAB9A
SCHEMBL11566982 0.84 MAPT (0.50) MAPTKMT2ANPC1LMNARAB9A
SCHEMBL11565894 0.84 CNR2 (0.44) CNR2TP53ACACBNR1H4
SCHEMBL11566816 0.83 CNR2 (0.43) MAPTKMT2ALMNASMN1; SMN2CNR2
SCHEMBL11561949 0.82 RAB9A (0.54) NPC1RAB9ASMN1; SMN2EPHX2ALDH1A1
SCHEMBL11568140 0.81 MAOA (0.46) MAPTKMT2ANPC1LMNARAB9A
SCHEMBL11557820 0.80 RXFP1 (0.42) KMT2ANPC1LMNASMN1; SMN2CNR2
SCHEMBL11565667 0.79 MAOB (0.48) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL11560701 0.79 ALDH1A1 (0.44) MAPTKMT2ALMNASMN1; SMN2ALDH1A1

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-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed