SCHEMBL3798595

SCHEMBL3798595

O=C(O)c1ccc2[nH]c3c4[nH]c5ccc(C(=O)O)cc5c4c4c5cc(C(=O)O)ccc5[nH]c4c3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
PARP1 P09874 2/20 0.50
KIF11 P52732 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44
PTPN1 P18031 2/20 0.43
PTPN6 P29350 2/20 0.43
PTPN11 Q06124 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL30844879 0.96 KDM4E (0.59) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL24303585 0.96 KDM4E (0.59) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL69604 0.81 KDM4E (0.67) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL30844878 0.81 KDM4E (0.67) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL15201551 0.80 KDM4E (0.58) KDM4EALDH1A1THRBHPGDPARP1
Hydrochloric Acid SCHEMBL9746959 0.79 KDM4E (0.65) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL20164955 0.75 JAK2 (0.51) KDM4EALDH1A1THRBHPGD
SCHEMBL9746956 0.75 KDM4E (0.51) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL27048061 0.75 KDM4E (0.47) KDM4EALDH1A1THRBHPGDPARP1
SCHEMBL2999387 0.75 KDM4E (0.51) KDM4EALDH1A1THRBHPGDPARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed