SCHEMBL31314166

SCHEMBL31314166

CCOCOc1cc(F)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PKM P14618 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCD O00767 3/20 0.34
SCD5 Q86SK9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL30294538 0.85 FFAR1 (0.48) FFAR1FFAR4PKMTDP1L3MBTL1
SCHEMBL1808652 0.85 FFAR1 (0.48) FFAR1FFAR4PKMTDP1L3MBTL1
SCHEMBL12668117 0.85 FFAR1 (0.43) FFAR1FFAR4PKMTDP1L3MBTL1
Fluoride SCHEMBL28350549 0.84 FFAR1 (0.47) FFAR1FFAR4PKMTDP1L3MBTL1
SCHEMBL394047 0.82 FFAR1 (0.46) FFAR1FFAR4PKML3MBTL1CYP1A2
SCHEMBL29385804 0.82 FFAR1 (0.46) FFAR1FFAR4PKML3MBTL1CYP1A2
SCHEMBL24537868 0.80 ALOX5AP (0.42) FFAR1FFAR4PKMLMNASCD
SCHEMBL29744608 0.80 ALOX5AP (0.42) FFAR1FFAR4PKMLMNASCD
SCHEMBL9026395 0.79 KDM4E (0.45) FFAR1FFAR4TDP1L3MBTL1CYP1A2
SCHEMBL25258919 0.79 KMT2A (0.35) PKMMEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025036275-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2025-02-20 WO disclosed
CN-119462517-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-02-18 CN disclosed