SCHEMBL641748

SCHEMBL641748

CCCCCCCCOc1ccc(-c2ccc(C(=O)Nc3ccc(CCOP(=O)(OCC)OCC)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
STAT3 P40763 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RARB P10826 3/20 0.50
NR1H4 Q96RI1 2/20 0.50
MAPT P10636 3/20 0.49
MCHR1 Q99705 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
FAAH O00519 6/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL642659 0.88 LMNA (0.52) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL641557 0.85 LMNA (0.55) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL644604 0.83 SMN1; SMN2 (0.56) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL643560 0.82 SMN1; SMN2 (0.58) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL641483 0.82 SMN1; SMN2 (0.57) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL641396 0.80 LMNA (0.52) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL643445 0.80 SMN1; SMN2 (0.59) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL9161294 0.79 SMN1; SMN2 (0.64) LMNASTAT3SMN1; SMN2NR1H4MAPT
SCHEMBL641683 0.79 LMNA (0.51) LMNASTAT3SMN1; SMN2RARBNR1H4
SCHEMBL642514 0.78 SMN1; SMN2 (0.50) LMNASTAT3SMN1; SMN2RARBNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP claimed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US claimed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP claimed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 WO claimed
EP-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
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