SCHEMBL8924039

SCHEMBL8924039

O=C(O)c1ccc(Oc2ccc(-c3ccc(Oc4ccc(C(=O)O)c(C(F)(F)F)c4)cc3)cc2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
XDH P47989 4/20 0.43
CES2 O00748 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
GALK1 P51570 1/20 0.42
CASP6 P55212 1/20 0.42
MCL1 Q07820 1/20 0.42
PLEC Q15149 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
AR P10275 2/20 0.41
DHODH Q02127 2/20 0.41
APEX1 P27695 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL695791 0.90 POLB (0.54) POLBTDP1MCL1DHODHL3MBTL1
SCHEMBL8978047 0.89 POLB (0.45) POLBAKR1C2AKR1C1XDHCES2
SCHEMBL29093106 0.87 AR (0.56) POLBAKR1C2XDHTDP1AR
SCHEMBL8921521 0.86 NR1H2 (0.48) POLBAKR1C2AKR1C1XDHTDP1
SCHEMBL22528190 0.85 POLB (0.50) POLBAKR1C2AKR1C1TDP1GALK1
SCHEMBL8922330 0.84 RXRA (0.44) POLBCES2TDP1RXRARXRB
SCHEMBL9251468 0.84 AKR1C2 (0.40) POLBAKR1C2AKR1C1XDHTDP1
SCHEMBL29962299 0.84 AKR1C2 (0.40) POLBAKR1C2AKR1C1XDHTDP1
SCHEMBL4410053 0.81 POLB (0.51) POLBAKR1C2TDP1GALK1CASP6
SCHEMBL278193 0.80 POLB (0.67) POLBXDHTDP1GALK1CASP6

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