SCHEMBL3980340

SCHEMBL3980340

COCCCCNc1cc(C(=O)O)ccc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.56
HCAR3 P49019 4/20 0.49
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
PLEC Q15149 1/20 0.40
NEU3 Q9UQ49 1/20 0.39
PLK1 P53350 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL18272540 0.97 PTGER4 (0.56) PTGER4HCAR3ALDH1A1MAPTKDM4E
SCHEMBL2429456 0.92 PTGER4 (0.67) PTGER4HCAR3ALDH1A1MAPTKDM4E
SCHEMBL3141041 0.86 HCAR3 (0.57) HCAR3ALDH1A1MAPTKDM4EGAA
SCHEMBL3973709 0.85 HCAR3 (0.56) HCAR3PLK1
SCHEMBL2427920 0.85 HCAR3 (0.56) PTGER4HCAR3ALDH1A1MAPTKDM4E
SCHEMBL19263326 0.83 PTGER4 (0.71) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL2425639 0.82 HCAR3 (0.55) PTGER4HCAR3ALDH1A1MAPTKDM4E
SCHEMBL3975310 0.81 HCAR3 (0.46) PTGER4HCAR3ALDH1A1MAPTKDM4E
SCHEMBL2425094 0.81 PTGER4 (0.49) PTGER4HCAR3ALDH1A1MAPTKDM4E
SCHEMBL2425938 0.81 HSP90AA1 (0.42) PTGER4HCAR3ALDH1A1MAPTKDM4E

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-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed