SCHEMBL5840936

SCHEMBL5840936

CCc1c(O)cc2ccccc2c1C=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.53
TRPM4 Q8TD43 1/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1I2 O75469 1/20 0.41
GLO1 Q04760 1/20 0.41
PADI4 Q9UM07 1/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NQO2 P16083 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL3269092 0.82 L3MBTL1 (0.43) ERN1GAATDP1L3MBTL1NR1I2
SCHEMBL5841801 0.81 L3MBTL1 (0.42) ERN1GAATDP1L3MBTL1NR1I2
SCHEMBL11233662 0.79 TRPM4 (0.52) TRPM4GAATDP1L3MBTL1POLB
SCHEMBL5841822 0.79 ERN1 (0.63) ERN1TRPM4GLO1PADI4CYP1A2
SCHEMBL5843386 0.78 ERN1 (0.58) ERN1TRPM4GAATDP1L3MBTL1
Alcohol SCHEMBL28156266 0.78 ERN1 (0.52) ERN1GAATDP1L3MBTL1NR1I2
SCHEMBL125970 0.78 ERN1 (0.61) ERN1TRPM4GLO1PADI4CYP1A2
SCHEMBL29407829 0.78 ERN1 (0.61) ERN1TRPM4GLO1PADI4CYP1A2
SCHEMBL4657300 0.77 L3MBTL1 (0.40) ERN1GAATDP1L3MBTL1NR1I2
Methyl Alcohol SCHEMBL27670101 0.75 ERN1 (0.57) ERN1GAATDP1L3MBTL1NR1I2

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-6984716-B2 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2006-01-10 US disclosed
US-20040077825-A1 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 US disclosed