SCHEMBL9548246

SCHEMBL9548246

N=C(N)NCc1cc(CCC(=O)O)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX2 P34913 3/20 0.38
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
F2 P00734 1/20 0.34
POLB P06746 2/20 0.33
JAK2 O60674 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
ITGB3 P05106 2/20 0.32

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
SCHEMBL9548264 0.83 PPARA (0.50) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9849445 0.82 PPARA (0.51) PPARASMN1; SMN2NPC1RAB9AKMT2A
Ammonia Solution, Strong SCHEMBL9548251 0.81 PPARA (0.50) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11661758 0.78 PPARA (0.60) PPARASMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL9548278 0.77 PPARA (0.52) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9849248 0.76 PPARA (0.54) PPARASMN1; SMN2NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL9548242 0.74 SLC15A1 (0.47) SMN1; SMN2NPC1RAB9AKMT2AMMP2
SCHEMBL27348673 0.74 PPARA (0.52) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9849579 0.71 PPARA (0.52) PPARASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9548297 0.71 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US claimed
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 claimed
US-5273989-A 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
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