SCHEMBL10657458

SCHEMBL10657458

O=[C]c1cccc(C(=O)c2ccccc2)c1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.52
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MYC P01106 1/20 0.46
ATM Q13315 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CDC25B P30305 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
POLB P06746 1/20 0.41
SRD5A2 P31213 1/20 0.41
NR4A1 P22736 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL64069 0.86 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL1331831 0.86 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL10375183 0.85 AKR1C3 (0.47) AKR1C3GAAMAPTALDH1A1MYC
SCHEMBL525385 0.82 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL1812262 0.82 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL9249733 0.82 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1MYC
SCHEMBL6463241 0.82 ALDH1A1 (0.56) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL857849 0.82 AKR1C3 (0.67) AKR1C3GAAMAPTALDH1A1MYC
SCHEMBL11044898 0.81 AKR1C3 (0.47) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL3282179 0.80 ALDH1A1 (0.45) GAAMAPTALDH1A1MYCATM

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-4720516-A Composite material with improved properties MITSUBISHI RAYON CO., LTD. (JP) 1988-01-19 US disclosed
US-4550130-A POLYOLEFIN MODIFIED WITH UNSATURATED CARBOXYLIC ACID, AND AMINE, EPOXY, AND/OR ISOCYANATE WITH REINFORCEMENT MITSUBISHI RAYON CO., LTD. (JP) 1985-10-29 US disclosed