SCHEMBL27420180

SCHEMBL27420180

O=C(CNC(=O)c1ccccc1)CC(Oc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MMP1 P03956 1/20 0.44
GAA P10253 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK14 Q16539 2/20 0.40
PRSS1 P07477 2/20 0.40
CTSG P08311 2/20 0.40
CTRB1 P17538 2/20 0.40
CMA1 P23946 2/20 0.40
GLA P06280 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL28147152 0.78 CYP2C19 (0.47) ALDH1A1
SCHEMBL27554309 0.71 SMN1; SMN2 (0.56) HPGDSMN1; SMN2NPC1RAB9AMMP1
SCHEMBL28891518 0.70 SMN1; SMN2 (0.54) HPGDSMN1; SMN2NPC1RAB9AMMP1
SCHEMBL9149660 0.70 GAA (0.57) HPGDSMN1; SMN2NPC1RAB9AMMP1
SCHEMBL2365011 0.69 MTNR1A (0.51) L3MBTL1
SCHEMBL5655365 0.69 PRSS1 (0.68) HPGDSMN1; SMN2NPC1RAB9AMMP1
SCHEMBL7537700 0.69 GAA (0.61) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL29129250 0.68 GAA (0.55) HPGDSMN1; SMN2NPC1RAB9AMMP1
SCHEMBL3961994 0.68 GAA (0.59) HPGDSMN1; SMN2NPC1RAB9AGAA
SCHEMBL13352085 0.68 GAA (0.59) HPGDSMN1; SMN2NPC1RAB9AGAA

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
CN-1074900-C Biological control of insects UNIV TROBE (AU) 2001-11-21 CN disclosed
CN-1158551-A Biological control of insects UNIV TROBE (AU) 1997-09-03 CN disclosed