SCHEMBL3992298

SCHEMBL3992298

CCCCCCCCCc1ccc(OCC2COC(=O)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.43
MAPK1 P28482 2/20 0.43
THRA P10827 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
S1PR1 P21453 4/20 0.43
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
S1PR2 O95136 1/20 0.42
S1PR3 Q99500 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ENPP2 Q13822 1/20 0.40

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
SCHEMBL9528215 0.87 RARB (0.49) THRBMAPK1THRAMEN1USP2
SCHEMBL27421390 0.84 GRM2 (0.53) MAPK1MEN1ALDH1A1LMNAKMT2A
SCHEMBL283616 0.83 ALDH1A1 (0.53) THRBMAPK1THRAMEN1USP2
SCHEMBL284333 0.83 ALDH1A1 (0.53) THRBMAPK1THRAMEN1USP2
SCHEMBL28501513 0.83 ALDH1A1 (0.53) THRBMAPK1THRAMEN1USP2
SCHEMBL457985 0.83 ALDH1A1 (0.53) THRBMAPK1THRAMEN1USP2
SCHEMBL218936 0.83 ALDH1A1 (0.53) THRBMAPK1THRAMEN1USP2
SCHEMBL283479 0.83 ALDH1A1 (0.53) THRBMAPK1THRAMEN1USP2
SCHEMBL4615431 0.83 ALDH1A1 (0.53) THRBMAPK1THRAMEN1USP2
SCHEMBL283490 0.83 ALDH1A1 (0.53) THRBMAPK1THRAMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2055699-A1 Process for producing cyclic carbonates Enel Produzione S.p.A. (IT) 2009-05-06 EP disclosed