SCHEMBL8375488

SCHEMBL8375488

Cc1onc(C(=O)O)c1C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
GFER P55789 1/20 0.48
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EPAS1 Q99814 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
PTGS2 P35354 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
DHODH Q02127 1/20 0.44

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
SCHEMBL27315064 0.90 ALDH1A1 (0.50) LMNAALDH1A1POLBTAS1R3TAS1R1
SCHEMBL9423028 0.84 HTT (0.62) LMNAALDH1A1POLBTAS1R3TAS1R1
SCHEMBL8376633 0.83 LMNA (0.53) LMNARECQLALDH1A1POLBHSD17B10
SCHEMBL9429690 0.83 GPBAR1 (0.60) LMNARECQLPOLBGFERPTGS2
SCHEMBL9871174 0.81 PTGS2 (0.62) LMNARECQLALDH1A1GFERPTGS2
SCHEMBL9429244 0.81 NPC1 (0.56) LMNARECQLALDH1A1POLBGFER
SCHEMBL7880670 0.80 LMNA (0.56) LMNARECQLGFEREPAS1PTGS2
SCHEMBL22609268 0.79 DHODH (0.43) LMNAALDH1A1POLBALOX15HSD17B10
SCHEMBL8377819 0.79 KMT2A (0.54) LMNARECQLALDH1A1POLBGFER
SCHEMBL8376637 0.77 LMNA (0.57) LMNARECQLALDH1A1PTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573318-B1 4-Phenylcarbamoyl-3-isoxazolecarboxylic acid derivatives with antiinflammatory activity HOECHST MARION ROUSSEL INC (FR) 1999-03-24 EP disclosed
US-5371099-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-12-06 US disclosed
EP-0573318-A1 Phenyl carboxamide isoxazole derivatives and salts, process for their preparation and the new intermediates thereof. Their use as pharmaceuticals and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1993-12-08 EP disclosed