SCHEMBL6645970

SCHEMBL6645970

CC/C=C1/CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 1/20 0.44
PTPN1 P18031 1/20 0.43
FKBP1A P62942 1/20 0.43
PREP P48147 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5765207 1.00 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5765206 1.00 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL6220501 0.91 NPSR1 (0.43) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL6220503 0.91 NPSR1 (0.43) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL6649131 0.89 NPSR1 (0.46) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5765999 0.89 NPSR1 (0.46) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5765997 0.89 NPSR1 (0.46) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5766886 0.87 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5766887 0.87 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL6645176 0.87 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1

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-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed