SCHEMBL8630248

SCHEMBL8630248

CC(C)(C)c1cc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PYGM P11217 7/20 0.40
PYGL P06737 6/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TDP1 Q9NUW8 4/20 0.39
RXRB P28702 1/20 0.39
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
XDH P47989 1/20 0.37
HPSE Q9Y251 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9460969 0.85 ALDH1A1 (0.46) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL9781030 0.84 TDP1 (0.47) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL8435470 0.84 RXRA (0.48) ALDH1A1TDP1RXRB
Hydrochloric Acid SCHEMBL8432428 0.83 RXRA (0.47) ALDH1A1TDP1RXRB
Hydrochloric Acid SCHEMBL8432435 0.83 RXRA (0.47) ALDH1A1TDP1RXRB
SCHEMBL9847757 0.82 ALDH1A1 (0.51) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL8628820 0.81 TDP1 (0.49) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL7965762 0.79 POLB (0.50) ALDH1A1POLBKDM4EPYGMPYGL
SCHEMBL8432658 0.77 HTT (0.50) ALDH1A1KDM4ETDP1RXRBLMNA
SCHEMBL9847753 0.77 RARB (0.51) ALDH1A1POLBKDM4EPYGMPYGL

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
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
US-5434240-A Films. fibers, encapsulation, thermoplastics THE UNIVERSITY OF LIVERPOOL (GB) 1995-07-18 US disclosed