SCHEMBL17047889

SCHEMBL17047889

CC(C)c1ccc(-c2nc(COCCCc3ccccn3)co2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPARA Q07869 9/20 0.38
PPARG P37231 8/20 0.38
NPC1 O15118 3/20 0.37
FFAR1 O14842 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL17047855 0.89 PPARA (0.41) TAS1R3TAS1R1ALDH1A1SMN1; SMN2PPARA
SCHEMBL17047898 0.86 ACP1 (0.45) ALDH1A1PPARAPPARGNPC1FFAR1
SCHEMBL17047946 0.86 FFAR1 (0.42) ALDH1A1SMN1; SMN2PPARAPPARGNPC1
SCHEMBL17047954 0.85 FFAR1 (0.43) PPARAPPARGFFAR1CYP1A2CYP2C19
SCHEMBL17047888 0.83 KDM4E (0.37) ALDH1A1SMN1; SMN2NPC1FFAR1CYP3A4
SCHEMBL17047871 0.81 MAPT (0.42) ALDH1A1NPC1KDM4ERAB9AHSD17B10
SCHEMBL17047853 0.80 SYK (0.40) NPC1RAB9A
SCHEMBL17047949 0.79 FFAR1 (0.43) ALDH1A1SMN1; SMN2PPARAPPARGNPC1
SCHEMBL17047890 0.79 ACP1 (0.47) PPARAPPARGNPC1FFAR1RAB9A
SCHEMBL17047964 0.76 MAPT (0.38) ALDH1A1SMN1; SMN2NPC1FFAR1KDM4E

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-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed
WO-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed