SCHEMBL28055018

SCHEMBL28055018

CC(=O)Cc1ccc2ccccc2c1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6754145 0.85 TDP1 (0.59) ERN1L3MBTL1TDP1GAAMAPT
SCHEMBL628771 0.84 ERN1 (0.53) ERN1L3MBTL1TDP1GAAMAPT
SCHEMBL2646726 0.81 ERN1 (0.61) ERN1L3MBTL1TDP1GAAMAPT
SCHEMBL3268984 0.81 ERN1 (0.56) ERN1L3MBTL1TDP1GAAMAPT
SCHEMBL28538435 0.78
Hypophosphorous Acid SCHEMBL9559627 0.77 ERN1 (0.53) ERN1L3MBTL1TDP1GAAMAPT
SCHEMBL6754178 0.77 ERN1 (0.56) ERN1L3MBTL1TDP1GAAMAPT
SCHEMBL8474945 0.77 POLB (0.47) TDP1GAAMAPTNPC1RAB9A
SCHEMBL3269480 0.77 L3MBTL1 (0.55) ERN1L3MBTL1TDP1GAAMAPT
SCHEMBL11764921 0.76 ERN1 (0.51) ERN1L3MBTL1TDP1GAAMAPT

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
CN-105400403-A Colored coating and artificial leather MILLIKEN & CO 2016-03-16 CN disclosed
CN-105400404-A Colored coating and artificial leather comprising a colorant complex MILLIKEN & CO 2016-03-16 CN disclosed