SCHEMBL9727707

SCHEMBL9727707

C=CCc1cc2c(cc1O)C(C)(C)C(CC(=O)OCC)O2

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SRD5A1 P18405 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9727754 0.78 GABRA1 (0.35) PTPN1SRD5A1
SCHEMBL9727666 0.75 GABRA1 (0.38) PTPN1SRD5A1
SCHEMBL9727746 0.74 GABRA1 (0.36) PTPN1SRD5A1
SCHEMBL3267701 0.64 MAPK1 (0.47) PTPN1KDM4EMAPK1HSD17B10L3MBTL1
SCHEMBL11240911 0.63 KDM4E (0.51) PTPN1KDM4EMAPK1HSD17B10
SCHEMBL24302315 0.62 MAPT (0.41) PTPN1KDM4EMAPK1HSD17B10SRD5A1
SCHEMBL8417673 0.62 PTPN1 (0.59) PTPN1KDM4EHSD17B10L3MBTL1
SCHEMBL8418573 0.62 FDFT1 (0.52) PTPN1MAPK1
SCHEMBL1975607 0.61 GABRA1 (0.53) PTPN1KDM4ESRD5A1
SCHEMBL8417975 0.61 HTT (0.48) PTPN1MAPK1

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
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed