SCHEMBL8628820

SCHEMBL8628820

CC(C)(C)c1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
POLB P06746 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.47
PYGM P11217 3/20 0.46
PYGL P06737 3/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
HPSE Q9Y251 1/20 0.43
XDH P47989 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
CYP2C19 P33261 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 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
SCHEMBL9781030 0.89 TDP1 (0.47) TDP1POLBKDM4EALDH1A1PYGM
SCHEMBL8435385 0.82 SRD5A2 (0.53) TDP1POLBALDH1A1TTRHPGD
SCHEMBL8630248 0.81 ALDH1A1 (0.43) TDP1POLBKDM4EALDH1A1PYGM
SCHEMBL7965762 0.81 POLB (0.50) TDP1POLBKDM4EALDH1A1PYGM
Hydrochloric Acid SCHEMBL8435178 0.81 SRD5A2 (0.51) TDP1POLBALDH1A1TTRHPGD
Hydrochloric Acid SCHEMBL8435173 0.81 SRD5A2 (0.51) TDP1POLBALDH1A1TTRHPGD
SCHEMBL8628744 0.80 ALDH1A1 (0.51) TDP1POLBKDM4EALDH1A1PYGM
SCHEMBL9847757 0.80 ALDH1A1 (0.51) TDP1POLBKDM4EALDH1A1PYGM
SCHEMBL9397807 0.79 POLB (0.45) TDP1POLBKDM4EALDH1A1PYGM
SCHEMBL543479 0.79 TDP1 (0.48) TDP1POLBKDM4EALDH1A1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757702-B1 POLY (IMIDE-ETHERS) DU PONT (US) 1998-07-01 EP disclosed
US-5675020-A CHEMICAL INTERMEDIATES FOR PREPARING AROMATIC POLYIMIDES THE UNIVERSITY OF LIVERPOOL (GB) 1997-10-07 US disclosed
EP-0757702-A1 POLY (IMIDE-ETHERS) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-12 EP disclosed
WO-1995029948-A1 POLY (IMIDE-ETHERS) E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-11-09 WO disclosed
US-5434240-A Films. fibers, encapsulation, thermoplastics THE UNIVERSITY OF LIVERPOOL (GB) 1995-07-18 US disclosed