SCHEMBL7839754

SCHEMBL7839754

COc1c(C(=O)O)[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
HPGD P15428 4/20 0.57
MAPT P10636 3/20 0.57
HSD17B10 Q99714 3/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
SRD5A2 P31213 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GABRA1 P14867 3/20 0.52
GABRG2 P18507 3/20 0.52
GABRB3 P28472 3/20 0.52

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
SCHEMBL6595921 0.88 GABRA1 (0.63) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL5504619 0.86 KDM4E (0.69) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL38662825 0.83 KDM4E (0.63) KDM4EHPGDMAPTHSD17B10ALDH1A1
SCHEMBL2730788 0.82 KDM4E (0.56) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL27389076 0.82 KDM4E (0.56) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL12133099 0.81 TRPM8 (0.57) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL27371374 0.80 ALDH1A1 (0.56) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL25904024 0.79 ALDH1A1 (0.68) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL18222533 0.79 TRPM8 (0.69) KDM4EHPGDMAPTHSD17B10LMNA
SCHEMBL3389079 0.78 TRPM8 (0.61) KDM4EHPGDMAPTHSD17B10LMNA

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-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 WO disclosed