SCHEMBL2642068

SCHEMBL2642068

[O]Cc1ccc(OCC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.63
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
FFAR1 O14842 1/20 0.56
PTPN7 P35236 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
PTPN12 Q05209 1/20 0.55
TSHR P16473 2/20 0.51
PPARD Q03181 2/20 0.51
HSD17B10 Q99714 1/20 0.51
NR4A1 P22736 1/20 0.51
APEX1 P27695 1/20 0.51
PPARG P37231 1/20 0.51
TBXAS1 P24557 3/20 0.51
PPARA Q07869 1/20 0.49
TBXA2R P21731 1/20 0.49
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL339492 0.87 ALOX15 (0.81) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL8373906 0.86 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL9832704 0.83 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL166364 0.83 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL1249954 0.82 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL10399496 0.82 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL2336059 0.82 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL4781395 0.82 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL3854415 0.82 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL18935767 0.81 ALOX15 (0.65) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7

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-1406620-B1 VINYL PHENYL DERIVATIVES AS GLK ACTIVATORS ASTRAZENECA AB (SE) 2006-11-02 EP disclosed