SCHEMBL29530632

SCHEMBL29530632

CC(=O)NC(Cc1c[nH]c2c(F)cccc12)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.71
ITGB2 P05107 7/20 0.58
ICAM1 P05362 7/20 0.58
ITGAL P20701 7/20 0.58
ALOX15 P16050 1/20 0.53
MPO P05164 4/20 0.50
GPR84 Q9NQS5 1/20 0.50
ACE P12821 3/20 0.49
TACR1 P25103 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL28516957 0.86 ITGB2 (0.63) TNFITGB2ICAM1ITGALALOX15
SCHEMBL28516953 0.86 ITGB2 (0.63) TNFITGB2ICAM1ITGALALOX15
SCHEMBL837864 0.85 TNF (0.68) TNFITGB2ICAM1ITGALALOX15
SCHEMBL836657 0.85 TNF (0.68) TNFITGB2ICAM1ITGALALOX15
SCHEMBL4002154 0.85 TNF (0.61) TNFITGB2ICAM1ITGALALOX15
SCHEMBL24301760 0.83 TNF (0.52) TNFITGB2ICAM1ITGALALOX15
SCHEMBL17828413 0.83 TNF (1.00) TNFITGB2ICAM1ITGALALOX15
SCHEMBL17830313 0.83 TNF (1.00) TNFITGB2ICAM1ITGALALOX15
SCHEMBL4641323 0.83 TNF (0.65) TNFITGB2ICAM1ITGALALOX15
SCHEMBL25412857 0.81 ITGB2 (0.58) TNFITGB2ICAM1ITGALALOX15

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-2022078462-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 WO disclosed