SCHEMBL28460754

SCHEMBL28460754

Cc1cc(OCCO)ccc1NC(=O)c1ccc(OCCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.61
MAPT P10636 6/20 0.61
RXFP1 Q9HBX9 2/20 0.53
PLK1 P53350 3/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
PPARG P37231 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.48
F10 P00742 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL7445054 0.83 MCHR1 (0.49) MCHR1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL14601526 0.83 PLK1 (0.47) MCHR1MAPTRXFP1PLK1RAB9A
Hydrochloric Acid SCHEMBL7437697 0.82 MCHR1 (0.48) MCHR1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL28455353 0.82 HDAC1 (0.54) MAPTRXFP1PLK1KMT2ALMNA
SCHEMBL7443547 0.78 PPARG (0.44) MCHR1MAPTRAB9AKMT2ANPC1
SCHEMBL8475075 0.78 ROCK2 (0.50) MCHR1MAPT
SCHEMBL5180990 0.77 MAPT (0.64) MCHR1MAPTRAB9AKMT2ANPC1
SCHEMBL22192224 0.77 MAPT (0.64) MCHR1MAPTRAB9AKMT2ANPC1
SCHEMBL4751615 0.76 PLK1 (0.75) MAPTPLK1NPC1SMN1; SMN2L3MBTL1
SCHEMBL7806605 0.75 NPC1 (0.58) MAPTPLK1RAB9AKMT2ANPC1

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
CN-108359084-B High-temperature self-crosslinking flame-retardant smoke-suppression anti-dripping copolyester based on benzimide structure and preparation method thereof 四川大学 2020-09-18 CN disclosed