SCHEMBL3936853

SCHEMBL3936853

CCOC(=O)CCCc1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.42
DAO P14920 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2770134 0.92 POLB (0.52) POLBGAASMN1; SMN2HPGDL3MBTL1
SCHEMBL3933040 0.82 FAAH (0.43) POLBSMN1; SMN2MAPTNPC1KMT2A
SCHEMBL17028594 0.81 CYSLTR2 (0.45) GAASMN1; SMN2HPGDKDM4EKMT2A
SCHEMBL3925637 0.80 KMT2A (0.49) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3931150 0.80 NPSR1 (0.44) POLBSMN1; SMN2HPGDL3MBTL1MAPT
SCHEMBL13962535 0.80 CYP4F2 (0.43) GAASMN1; SMN2CYP4F2CYP4A11CYSLTR2
SCHEMBL17967042 0.79 CYSLTR2 (0.41) GAASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL3924887 0.79 AGBL2 (0.55) POLBGAASMN1; SMN2HPGDL3MBTL1
SCHEMBL3928855 0.78 CYSLTR2 (0.46) GAASMN1; SMN2HPGDMAPTNPC1
SCHEMBL3930089 0.77 L3MBTL1 (0.48) POLBGAASMN1; SMN2HPGDL3MBTL1

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
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed