SCHEMBL3688929

SCHEMBL3688929

C=C(C(=O)OC)C(O)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CASP1 P29466 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP8 P22894 1/20 0.34
ALOX15 P16050 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 2/20 0.33
CAD P27708 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10763074 0.88 CASP1 (0.46) ALDH1A1TSHRMGAMGAASI
SCHEMBL10761672 0.83 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL10761685 0.81 ALDH1A1 (0.36) ALDH1A1TSHRMGAMGAASI
SCHEMBL9574819 0.79 ALDH1A1 (0.42) ALDH1A1TSHRMGAMGAASI
SCHEMBL23045291 0.79 LMNA (0.34) ALDH1A1TSHRCASP1LMNA
SCHEMBL23045270 0.77 TSHR (0.54) ALDH1A1TSHRCASP1NPSR1THRB
SCHEMBL27730937 0.76 MGAM (0.46) ALDH1A1TSHRMGAMGAASI
SCHEMBL3646131 0.76 ALDH1A1 (0.35) ALDH1A1TSHRMGAMGAASI
SCHEMBL1249258 0.75 ALDH1A1 (0.53) ALDH1A1TSHRMGAMGAASI
SCHEMBL10763230 0.74 CASP1 (0.32) ALDH1A1TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173738-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF VIRAL INFECTIONS AND METHODS FOR PREPARING THEM Nanodream S.r.l. Unipersonale (IT) 2010-04-14 EP disclosed
WO-2008101514-A1 NUCLEOSIDE ANALOGUES FOR THE TREATMENT OF VIRAL INFECTIONS AND METHODS FOR PREPARING THEM NANODREAM S.R.L. UNIPERSONALE (IT) 2008-08-28 WO disclosed
US-4652669-A MONOMERS BASF AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed