SCHEMBL839908

SCHEMBL839908

O=C(c1ccccc1)c1[c]ccc(C(=O)c2ccccc2)c1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MYC P01106 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1451727 0.79 AKR1C3 (0.53) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL9787206 0.78 MAPT (0.45) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL1666651 0.75 ALDH1A1 (0.65) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL28988582 0.74 MAPT (0.47) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL857849 0.73 AKR1C3 (0.67) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL5213229 0.73 AKR1C3 (0.46) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL2934781 0.72 ALDH1A1 (0.48) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL9774810 0.71 AKR1C3 (0.64) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL9712668 0.70 ALDH1A1 (0.46) AKR1C3ALDH1A1GAAMAPTATM
SCHEMBL10388386 0.70 ALDH1A1 (0.46) AKR1C3ALDH1A1GAAMAPTATM

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-8143465-B2 Soluble branched triaroylbenzene-based polymer and its synthetic method THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2012-03-27 US disclosed
US-20060247410-A1 Soluble branched triaroylbenzene-based polymer and its synthetic method HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY, THE (HK) 2006-11-02 US disclosed