SCHEMBL9548264

SCHEMBL9548264

CC(=O)NCc1cc(CCC(=O)O)no1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
CYP1A2 P05177 1/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 4/20 0.42
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9849445 0.84 PPARA (0.51) PPARAPOLBSMN1; SMN2RAB9ANPC1
Ammonia Solution, Strong SCHEMBL9548251 0.83 PPARA (0.50) PPARAPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL9548246 0.83 PPARA (0.45) PPARAPOLBSMN1; SMN2CYP1A2RAB9A
SCHEMBL11661758 0.81 PPARA (0.60) PPARAPOLBSMN1; SMN2CYP1A2RAB9A
SCHEMBL9849248 0.78 PPARA (0.54) PPARAPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL18031837 0.78 POLB (0.50) POLBSMN1; SMN2CYP1A2RAB9ANPC1
Hydrochloric Acid SCHEMBL9548242 0.77 SLC15A1 (0.47) POLBSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL27348673 0.76 PPARA (0.52) PPARAPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL9548278 0.76 PPARA (0.52) PPARAPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL9548297 0.76 PPARA (0.52) PPARASMN1; SMN2RAB9ANPC1KMT2A

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