SCHEMBL9849445

SCHEMBL9849445

O=C(O)CCc1cc(CNCc2cc(CCC(=O)O)no2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 2/20 0.37
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 2/20 0.34
NR1H4 Q96RI1 1/20 0.33
TSHR P16473 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL9548251 0.98 PPARA (0.50) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9548373 0.90 SMN1; SMN2 (0.46) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11661758 0.86 PPARA (0.60) PPARASMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL9548264 0.84 PPARA (0.50) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9849248 0.83 PPARA (0.54) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9548246 0.82 PPARA (0.45) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9548278 0.81 PPARA (0.52) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL27348673 0.81 PPARA (0.52) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9548297 0.78 PPARA (0.52) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9849579 0.78 PPARA (0.52) PPARASMN1; SMN2NPC1RAB9AKMT2A

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
EP-0451790-A1 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-16 EP disclosed