SCHEMBL4079709

SCHEMBL4079709

CCCCCCCCOc1ccc(-c2ccc(C(=O)[As](C)c3ccccc3C(F)(F)P(=O)(O)OC(C)CC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.43
PLK1 P53350 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 1/20 0.38
PLA2G4B P0C869 3/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
TAOK3 Q9H2K8 2/20 0.37
TAOK1 Q7L7X3 1/20 0.35

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
SCHEMBL641800 0.84 PLK1 (0.53) RARBPLK1PPARGPPARATAOK3
SCHEMBL4079706 0.83 RARB (0.47) RARBPLK1TP53TSHRPLA2G4B
SCHEMBL642400 0.81 RARB (0.43) RARBPLK1TP53TSHRPPARG
SCHEMBL643865 0.81 RARB (0.42) RARBPLK1TP53TSHRPPARG
SCHEMBL642610 0.79 PLK1 (0.51) RARBPLK1PPARGPPARA
SCHEMBL641397 0.77 MCHR1 (0.48) RARBPLK1TP53TSHRPPARG
SCHEMBL642508 0.76 NR1H4 (0.54) PLK1TP53
SCHEMBL643775 0.75 MCHR1 (0.45) RARBTP53TSHRPPARGPPARA
SCHEMBL641374 0.74 RARB (0.41) RARBTP53TSHRPPARGPPARA
SCHEMBL643453 0.73 RARB (0.41) RARBTP53TSHRPPARGPPARA

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
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO disclosed