SCHEMBL8978047

SCHEMBL8978047

O=C(O)c1cc(Oc2ccc(-c3ccc(Oc4ccc(C(F)(F)F)c(C(=O)O)c4)cc3)cc2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
ASPH Q12797 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.41
GALK1 P51570 1/20 0.41
CASP6 P55212 1/20 0.41
MCL1 Q07820 1/20 0.41
PLEC Q15149 1/20 0.41
CES2 O00748 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 2/20 0.40
XDH P47989 1/20 0.39
LMNA P02545 1/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39

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
SCHEMBL694237 0.90 POLB (0.53) POLBDHODHSCN9AMEN1KMT2A
SCHEMBL8924039 0.89 POLB (0.46) POLBAKR1C2AKR1C1RXRARXRB
SCHEMBL9251468 0.83 AKR1C2 (0.40) POLBAKR1C2AKR1C1RXRARXRB
SCHEMBL29962299 0.83 AKR1C2 (0.40) POLBAKR1C2AKR1C1RXRARXRB
SCHEMBL22528190 0.81 POLB (0.50) POLBAKR1C2AKR1C1TDP1GALK1
SCHEMBL8924033 0.81 RXRA (0.50) RXRARXRBRXRGASPHMCL1
SCHEMBL23140494 0.80 SMN1; SMN2 (0.54) POLBAKR1C2SMN1; SMN2LMNAMEN1
SCHEMBL30938277 0.80 SMN1; SMN2 (0.54) POLBAKR1C2SMN1; SMN2LMNAMEN1
SCHEMBL29475149 0.79 POLB (0.67) POLBTDP1GALK1CASP6MCL1
SCHEMBL278193 0.79 POLB (0.67) POLBTDP1GALK1CASP6MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708149-A1 Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed