SCHEMBL8767461

SCHEMBL8767461

O=C(c1ccc(O)c(Cl)c1)C(O)OC(O)C(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
KDM4E B2RXH2 1/20 0.42
DBH P09172 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
CA1 P00915 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
GCGR P47871 1/20 0.36
KMO O15229 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36

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
SCHEMBL8768684 0.78 TAS1R3 (0.50) KDM4ETSHRLMNASMN1; SMN2THRB
SCHEMBL12780332 0.78 KDM4E (0.69) HSP90AA1HSP90AB1KDM4EDBHGAA
SCHEMBL28987669 0.75 HSP90AA1 (0.50) HSP90AA1HSP90AB1KDM4EDBHGAA
SCHEMBL1355432 0.75 PTPN1 (0.54) HSP90AA1HSP90AB1CA2HSD17B2CA1
SCHEMBL17800958 0.75 CES2 (0.58) HSP90AA1HSP90AB1KDM4ECA2LMNA
SCHEMBL1758305 0.74 HSD17B1 (0.59) HSP90AA1HSP90AB1TSHRHSD17B10CA2
SCHEMBL184485 0.72 TSHR (0.68) HSP90AA1HSP90AB1KDM4EGAATSHR
SCHEMBL2649150 0.72 TSHR (0.68) HSP90AA1HSP90AB1KDM4EGAATSHR
SCHEMBL29524547 0.72 TSHR (0.68) HSP90AA1HSP90AB1KDM4EGAATSHR
SCHEMBL4286582 0.72 HSP90AA1 (0.55) HSP90AA1HSP90AB1KDM4EGAATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed
EP-0579833-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY. FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-26 EP disclosed
WO-1992018461-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed