SCHEMBL9741104

SCHEMBL9741104

CC(SCc1ccccc1)C(=O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 2/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 2/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
EPHX1 P07099 1/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL44800 0.82 L3MBTL1 (0.56) L3MBTL1POLBATMSMN1; SMN2NPSR1
SCHEMBL15141726 0.80 L3MBTL1 (0.55) L3MBTL1POLBATMSMN1; SMN2NPSR1
Propionic Acid SCHEMBL9833196 0.79 POLB (0.51) L3MBTL1POLBATMSMN1; SMN2NPSR1
SCHEMBL7396452 0.79 EPHX1 (0.70) L3MBTL1POLBATMSMN1; SMN2NPSR1
SCHEMBL9857113 0.79 POLB (0.54) L3MBTL1POLBATMSMN1; SMN2NPSR1
SCHEMBL7873176 0.79 EPHX1 (0.70) L3MBTL1POLBATMSMN1; SMN2NPSR1
SCHEMBL11769885 0.77 PPARG (0.54) L3MBTL1POLBATMSMN1; SMN2NPSR1
SCHEMBL27862584 0.75 PPARG (0.48) L3MBTL1POLBATMSMN1; SMN2NPSR1
SCHEMBL11770013 0.75 POLB (0.64) L3MBTL1POLBATMSMN1; SMN2NPSR1
SCHEMBL11515757 0.75 ALDH1A1 (0.53) L3MBTL1POLBATMSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006965-A1 HERBICIDAL SULFONYLUREA DERIVATIVES ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1992-04-30 WO disclosed