SCHEMBL9630906

SCHEMBL9630906

CC(=O)OC(C)Cc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 1/20 0.51
NR4A2 P43354 1/20 0.47
CYP1A2 P05177 2/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
PDE4B Q07343 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL962571 0.83 TSHR (0.47) LMNARAB9ASMN1; SMN2ALDH1A1MMP12
SCHEMBL3526490 0.82 USP5 (0.64) USP5L3MBTL1KMT2ANR4A2CYP1A2
SCHEMBL11174352 0.82 KMT2A (0.52) L3MBTL1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL25146524 0.78 LMNA (0.62) USP5L3MBTL1KMT2ANR4A2CYP1A2
SCHEMBL8155949 0.78 SMN1; SMN2 (0.50) L3MBTL1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL11235329 0.78 ACACB (0.60) USP5L3MBTL1KMT2ASIGMAR1
SCHEMBL5617244 0.77 ALDH1A1 (0.52) CYP1A2LMNARAB9AALDH1A1SIGMAR1
SCHEMBL9028692 0.77 ALDH1A1 (0.52) CYP1A2LMNARAB9AALDH1A1SIGMAR1
SCHEMBL3505882 0.77 ALDH1A1 (0.52) CYP1A2LMNARAB9AALDH1A1SIGMAR1
SCHEMBL11239470 0.77 USP5 (0.53) USP5L3MBTL1KMT2ANR4A2CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed