Sugi Predict

Sugi Predict / Compounds / SCHEMBL641512

SCHEMBL641512

SCHEMBL641512

CCCCCCCCOc1ccc(-c2ccc(C(=O)ON(C(=O)c3ccc(-c4ccc(OCCCCCCCC)cc4)cc3)c3ccc(C(F)(F)C(F)(F)P(=O)(O)OC(C)CC)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.40
▸ PPARG P37231 3/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ SPHK1 Q9NYA1 3/20 0.35
▸ PLA2G4B P0C869 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
SCHEMBL643453 0.92 RARB (0.41) RARBPPARGPPARAHRH3TSHR
SCHEMBL641511 0.85 RARB (0.43) RARBPPARGPPARAHRH3TSHR
SCHEMBL641470 0.83 RARB (0.47) RARBTSHRTP53PLA2G4B
SCHEMBL642515 0.83 LMNA (0.46) RARBPPARGPPARATSHRTP53
SCHEMBL643775 0.80 MCHR1 (0.45) RARBPPARGPPARAHRH3TSHR
SCHEMBL643452 0.80 RARB (0.44) RARBPPARGPPARATSHRTP53
SCHEMBL642459 0.78 NR1H4 (0.52) RARBTP53
SCHEMBL642610 0.76 PLK1 (0.51) RARBPPARGPPARA
SCHEMBL641374 0.75 RARB (0.41) RARBPPARGPPARAHRH3TSHR
SCHEMBL641397 0.74 MCHR1 (0.48) RARBPPARGPPARATSHRTP53

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 4 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