SCHEMBL13665249

SCHEMBL13665249

CCCCOC(=O)Nc1cccc(NC(=O)OCC)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.78
NPC1 O15118 8/20 0.78
HPGD P15428 7/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
CYP1A2 P05177 2/20 0.78
CYP2C9 P11712 2/20 0.78
CYP2C19 P33261 2/20 0.78
LMNA P02545 2/20 0.74
MAPK1 P28482 3/20 0.67
MAPT P10636 2/20 0.67
HSD17B10 Q99714 1/20 0.67
EPHX2 P34913 1/20 0.60
ALDH1A1 P00352 3/20 0.59
HTT P42858 1/20 0.58
F2R P25116 1/20 0.58
KDM4E B2RXH2 2/20 0.57
CASP1 P29466 1/20 0.57
MCL1 Q07820 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CASP3 P42574 1/20 0.55

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
SCHEMBL7565913 0.95 RAB9A (0.81) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL7565917 0.93 RAB9A (0.72) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL12285188 0.91 RAB9A (0.74) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL10192011 0.90 RAB9A (0.72) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL7565149 0.89 MAPK1 (0.81) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL27422626 0.87 RAB9A (0.72) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL7564873 0.85 HPGD (0.79) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL11218133 0.85 EPHX2 (0.79) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL3860478 0.85 RAB9A (0.71) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL27583650 0.85 RAB9A (0.71) RAB9ANPC1HPGDSMN1; SMN2CYP1A2

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-20090253816-A1 COMPOSITION FOR PREPARING A BIODEGRADABLE POLYURETHANE- BASED FOAM AND A BIODEGRADABLE POLYURETHANE FOAM PHB INDUSTRIAL S.A. (BR) 2009-10-08 US disclosed
US-20090043000-A1 COMPOSITION FOR PREPARING A DEGRADABLE POLYOL POLYESTER, PROCESS FOR OBTAINING A POLYOL POLYESTER, AN ELASTOMER, FOAMS, PAINTS AND ADHESIVES, AND A DEGRADABLE POLYOL POLYESTER FOAM PHB INDUSTRIAL S.A. (BR) 2009-02-12 US disclosed