SCHEMBL4598185

SCHEMBL4598185

Cc1nc(Sc2ccc(OCC(=O)O)cc2)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.41
APEX1 P27695 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARD Q03181 2/20 0.40
PPARG P37231 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4597860 0.85 GAA (0.38) SMN1; SMN2HPGDGAANPSR1MAPT
SCHEMBL4596630 0.81 CYP26A1 (0.40) HPGDGAALMNAALDH1A1TP53
SCHEMBL4597190 0.80 HAO1 (0.44) MAPTLMNAALDH1A1POLB
SCHEMBL4596529 0.79 TYMS (0.44) SMN1; SMN2HPGDGAALMNAALDH1A1
SCHEMBL5575510 0.78 PTGDR2 (0.46) NR4A1APEX1SMN1; SMN2PTGDR2ALOX15
SCHEMBL5576695 0.78 ALOX15 (0.42) SMN1; SMN2HPGDGAANPSR1ALOX15
SCHEMBL4597157 0.75 ALDH1A1 (0.46) SMN1; SMN2HPGDGAANPSR1ALOX15
SCHEMBL5575494 0.75 NPC1 (0.37) SMN1; SMN2HPGDMAPTALDH1A1TP53
SCHEMBL4596971 0.75 CYP4F2 (0.41) SMN1; SMN2HPGDGAAMAPTALDH1A1
SCHEMBL8619219 0.74 ALOX15 (0.63) NR4A1APEX1SMN1; SMN2HPGDGAA

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed