SCHEMBL9871174

SCHEMBL9871174

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 1/20 0.55
RECQL P46063 1/20 0.55
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
GFER P55789 1/20 0.49
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL7880670 0.88 LMNA (0.56) PTGS2SMN1; SMN2NPC1GAARAB9A
SCHEMBL9429690 0.84 GPBAR1 (0.60) PTGS2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9429244 0.82 NPC1 (0.56) PTGS2SMN1; SMN2NPC1GAARAB9A
SCHEMBL20006969 0.81 MAPK1 (0.72) PTGS2SMN1; SMN2TSHRHTTALDH1A1
SCHEMBL8375488 0.81 LMNA (0.54) PTGS2SMN1; SMN2GAALMNARECQL
SCHEMBL9428749 0.81 LMNA (0.46) PTGS2SMN1; SMN2NPC1GAARAB9A
SCHEMBL8379618 0.80 LMNA (0.54) PTGS2SMN1; SMN2NPC1GAARAB9A
SCHEMBL8375473 0.80 PTGS2 (0.65) PTGS2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8377819 0.80 KMT2A (0.54) NPC1RAB9ALMNARECQLGFER
SCHEMBL8376637 0.78 LMNA (0.57) PTGS2SMN1; SMN2GAALMNARECQL

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
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US claimed