SCHEMBL8924121

SCHEMBL8924121

O=C(O)c1ccc(Oc2cccc(C(c3cccc(Oc4ccc(C(=O)O)c(C(=O)O)c4)c3)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)c2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.49
POLB P06746 3/20 0.49
TDP1 Q9NUW8 4/20 0.44
GALK1 P51570 1/20 0.44
CASP6 P55212 1/20 0.44
MCL1 Q07820 1/20 0.44
PLEC Q15149 1/20 0.44
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
PYGL P06737 3/20 0.39
PYGM P11217 3/20 0.39
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1100529 0.92 POLB (0.51) HPSEPOLBTDP1GALK1CASP6
SCHEMBL29779713 0.92 POLB (0.51) HPSEPOLBTDP1GALK1CASP6
SCHEMBL9852598 0.89 HPSE (0.49) HPSEPOLBTDP1GALK1CASP6
SCHEMBL8923122 0.87 POLB (0.52) HPSEPOLBTDP1GALK1CASP6
SCHEMBL9153473 0.83 POLB (0.51) HPSEPOLBTDP1GALK1CASP6
SCHEMBL28394217 0.83 HPSE (0.48) HPSEPOLBTDP1GALK1CASP6
SCHEMBL28885523 0.83 HPSE (0.48) HPSEPOLBTDP1GALK1CASP6
SCHEMBL29907832 0.80 POLB (0.54) HPSEPOLBTDP1GALK1CASP6
SCHEMBL1099667 0.80 POLB (0.54) HPSEPOLBTDP1GALK1CASP6
SCHEMBL8923161 0.79 HSD17B10 (0.47) TDP1KDM4EALDH1A1

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-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
EP-0708149-A1 Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed