SCHEMBL9548244

SCHEMBL9548244

CC(C)(N)c1cc(CCC(=O)O)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
NR1H4 Q96RI1 4/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
EGFR P00533 1/20 0.34
HPGD P15428 1/20 0.33
MCL1 Q07820 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
LMNA P02545 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
SCHEMBL9666458 0.78 PPARA (0.51) PPARANPSR1MEN1NPC1RAB9A
SCHEMBL11661758 0.73 PPARA (0.60) PPARANPSR1NPC1RAB9ARXRA
SCHEMBL9548278 0.72 PPARA (0.52) PPARANPSR1NPC1RAB9AKMT2A
SCHEMBL6402764 0.71 PPARA (0.84) PPARANPC1RAB9APPARGPPARD
SCHEMBL9849248 0.70 PPARA (0.54) PPARANPSR1NPC1RAB9AKMT2A
SCHEMBL27348673 0.69 PPARA (0.52) PPARANPSR1NPC1RAB9AKMT2A
SCHEMBL9665941 0.69 PPARA (0.64) PPARANPSR1EGFRLMNA
SCHEMBL17747662 0.69 PPARA (0.38) PPARANR1H4NPSR1S1PR1S1PR3
SCHEMBL17756209 0.69 PPARA (0.38) PPARANR1H4NPSR1S1PR1S1PR3
SCHEMBL9548297 0.69 PPARA (0.52) PPARANR1H4NPSR1NPC1RAB9A

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 5 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
CN-1055537-A 3, two replacement-2-different  azoles alkane of 5-and different  azoles, its preparation method contain the preparation and the application thereof of this composition HOECHST AG (DE) 1991-10-23 CN 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