SCHEMBL4079706

SCHEMBL4079706

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
PLK1 P53350 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PLA2G4B P0C869 5/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
PLA2G4A P47712 1/20 0.38
FAAH O00519 2/20 0.37

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
SCHEMBL4079709 0.83 RARB (0.43) RARBPLK1TP53TSHRPLA2G4B
SCHEMBL641799 0.83 PLK1 (0.58) RARBPLK1TP53
SCHEMBL642399 0.80 RARB (0.47) RARBPLK1TP53TSHRPLA2G4B
SCHEMBL643864 0.79 RARB (0.46) RARBPLK1TP53TSHRPLA2G4B
SCHEMBL644428 0.79 PLK1 (0.55) RARBPLK1TP53
SCHEMBL642609 0.77 PLK1 (0.55) RARBPLK1TP53
SCHEMBL641453 0.76 RARB (0.44) RARBPLK1TP53TSHRPLA2G4B
SCHEMBL641396 0.75 LMNA (0.52) RARBPLK1TP53TSHRFAAH
SCHEMBL643756 0.75 PLK1 (0.57) RARBPLK1TP53
SCHEMBL642507 0.73 NR1H4 (0.58) RARBPLK1TP53

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