SCHEMBL9548321

SCHEMBL9548321

NCc1cc(CCC(=O)NCC(=O)O)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
NOTUM Q6P988 1/20 0.35
SHMT1 P34896 3/20 0.34
SHMT2 P34897 3/20 0.34
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
POLB P06746 1/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL9548278 0.84 PPARA (0.52) PPARASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL4167077 0.77 PPARA (0.42) PPARASMN1; SMN2RAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL9548291 0.76 PPARA (0.41) PPARASMN1; SMN2RAB9ANOTUMATM
Hydrochloric Acid SCHEMBL9548262 0.74 PPARA (0.41) PPARASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL9548330 0.74 NOTUM (0.43) PPARASMN1; SMN2NOTUMALDH1A1HPGD
SCHEMBL11661758 0.72 PPARA (0.60) PPARASMN1; SMN2RAB9ANPC1MMP2
SCHEMBL9849583 0.70 NOTUM (0.42) PPARANOTUM
SCHEMBL13268368 0.70 PPARA (0.48) PPARASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL9849445 0.70 PPARA (0.51) PPARASMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL12334223 0.69 PPARA (0.45) 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