SCHEMBL22014434

SCHEMBL22014434

Cc1cc(C(F)(F)F)cc(O)c1CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.40
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 2/20 0.39
P2RX1 P51575 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ICMT O60725 2/20 0.37
CES2 O00748 1/20 0.36
HTT P42858 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.35
IL1B P01584 3/20 0.35
PLA2G2A P14555 2/20 0.35
GAA P10253 1/20 0.34
TNF P01375 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL8148463 0.73 HTR1D (0.67) RXRARXRBRXRGHTR1DHTR1B
SCHEMBL21962071 0.72 ALDH1A1 (0.40) RXRARXRBRXRGP2RX1TACR1
SCHEMBL8566067 0.71 RXRA (0.54) AGBL2RXRARXRBRXRGICMT
SCHEMBL30875890 0.71 GRIN2B (0.43) RXRARXRBRXRGICMTTACR1
SCHEMBL13191751 0.71 MAPT (0.46) AGBL2HTR1DHTR1BHTTPLA2G2A
SCHEMBL2484345 0.71 IDO1 (0.48) RXRARXRBRXRGICMTCES2
SCHEMBL12806638 0.70 PTGS1 (0.38) P2RX1CES2TMPRSS4IL1BTNF
SCHEMBL777612 0.70 HTT (0.45) HTR1DHTR1BICMTHTTGAA
SCHEMBL21866618 0.69 ACHE (0.42) RXRARXRBP2RX1CES2TMPRSS4
Hydrochloric Acid SCHEMBL3143821 0.69 IDO1 (0.50) RXRARXRBRXRGICMTCES2

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
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed