SCHEMBL8630499

SCHEMBL8630499

O=C(O)c1ccc(Oc2cccc(F)c2Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGM P11217 12/20 0.53
PYGL P06737 12/20 0.53
HPSE Q9Y251 1/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.48
GALK1 P51570 1/20 0.44
CASP6 P55212 1/20 0.44
MCL1 Q07820 1/20 0.44
PLEC Q15149 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DHODH Q02127 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
SCHEMBL27946716 0.88 POLB (0.54) PYGMPYGLHPSEPOLBKDM4E
SCHEMBL27994019 0.87 PYGM (0.54) PYGMPYGLHPSEPOLBKDM4E
SCHEMBL11059819 0.85 POLB (0.59) PYGMPYGLHPSEPOLBKDM4E
SCHEMBL8627947 0.82 POLB (0.51) PYGMPYGLHPSEPOLBKDM4E
SCHEMBL8671721 0.82 HPSE (0.49) PYGMPYGLHPSEPOLBKDM4E
SCHEMBL8671716 0.81 HPSE (0.48) PYGMPYGLHPSEPOLBKDM4E
SCHEMBL7969637 0.81 POLB (0.65) PYGMPYGLHPSEPOLBKDM4E
SCHEMBL29664286 0.81 POLB (0.65) PYGMPYGLHPSEPOLBKDM4E
SCHEMBL8628620 0.80 LPAR1 (0.58)
SCHEMBL7627578 0.80 GALK1 (0.51) PYGMPYGLHPSEPOLBKDM4E

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