SCHEMBL3975419

SCHEMBL3975419

CCCCCCCCOc1ccccc1-c1ccc(C(=O)Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
PTPN11 Q06124 4/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RARB P10826 3/20 0.48
GAA P10253 1/20 0.46

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
SCHEMBL10871804 0.88 RARB (0.63) KDM4EPTPN11THRATHRBRARB
SCHEMBL9723851 0.88 RARB (0.63) KDM4EPTPN11THRATHRBRARB
SCHEMBL6266863 0.88 RARB (0.63) KDM4EPTPN11THRATHRBRARB
SCHEMBL3977527 0.88 RARB (0.63) KDM4EPTPN11THRATHRBRARB
SCHEMBL8986580 0.88 RARB (0.63) KDM4EPTPN11THRATHRBRARB
SCHEMBL8769909 0.88 RARB (0.63) KDM4EPTPN11THRATHRBRARB
SCHEMBL9799861 0.88 RARB (0.63) KDM4EPTPN11THRATHRBRARB
Hydrochloric Acid SCHEMBL8419152 0.86 RARB (0.62) KDM4EPTPN11THRATHRBRARB
SCHEMBL9306509 0.86 LMNA (0.62) KDM4EPTPN11THRATHRBMEN1
SCHEMBL7331535 0.85 RARB (0.63) KDM4EPTPN11RARB

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