SCHEMBL25254031

SCHEMBL25254031

C[C@H](c1ccccc1)N(CC(=O)O)C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
SLC6A9 P48067 1/20 0.42
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
TRPM8 Q7Z2W7 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MLYCD O95822 1/20 0.39
MTOR P42345 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASR P41180 1/20 0.37
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL25296546 1.00 ALOX5 (0.42) ALOX5DAGLASLC6A9NR1H2NR1H3
SCHEMBL25255966 0.83 TP53 (0.40) ALOX5NR1H2NR1H3
SCHEMBL25295175 0.83 TP53 (0.40) ALOX5NR1H2NR1H3
SCHEMBL24326338 0.82 NR1H2 (0.39) DAGLASLC6A9NR1H2NR1H3TRPM8
SCHEMBL13881156 0.81 ALOX5 (0.40) ALOX5NR1H2NR1H3TRPM8CHRM2
SCHEMBL11241042 0.78 ALOX5 (0.45) ALOX5DAGLATRPM8MTORMEN1
SCHEMBL7374443 0.78 ALOX5 (0.45) ALOX5DAGLATRPM8MTORCASR
SCHEMBL21878158 0.76 ALOX5 (0.44) ALOX5DAGLATRPM8MTORMEN1
SCHEMBL21878160 0.76 ALOX5 (0.44) ALOX5DAGLATRPM8MTORMEN1
SCHEMBL20741091 0.76 DAGLA (0.41) ALOX5DAGLASLC6A9TRPM8MTOR

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-2023125845-A1 HETEROAROMATIC BICYCLIC COMPOUND AND ANTIVIRAL APPLICATION THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed
WO-2023125845-A1 HETEROAROMATIC BICYCLIC COMPOUND AND ANTIVIRAL APPLICATION THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed