SCHEMBL9520118

SCHEMBL9520118

Cc1nc(-c2ccc(O)c(C)c2O)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
PLK1 P53350 1/20 0.40
PDK2 Q15119 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL30772115 0.79 ESR1 (0.44) ESR1ESR2MAPTHSD17B10KDM4E
SCHEMBL30772116 0.79 ESR1 (0.44) ESR1ESR2MAPTHSD17B10KDM4E
SCHEMBL3696821 0.79 ESR1 (0.44) ESR1ESR2MAPTHSD17B10KDM4E
SCHEMBL4386662 0.75 CASP3 (0.68) L3MBTL1MAPTHSD17B10KDM4ENPSR1
SCHEMBL12714322 0.74 ESR1 (0.41) ESR1ESR2MAPTHSD17B10KDM4E
SCHEMBL2642361 0.73 PDK2 (0.49) L3MBTL1MAPTHSD17B10KDM4ENPSR1
SCHEMBL11802995 0.72 ESR1 (0.46) ESR1ESR2MAPTHSD17B10KDM4E
SCHEMBL18633733 0.71 ESR1 (0.41) ESR1ESR2MAPTHSD17B10KDM4E
SCHEMBL9523262 0.71 MAPT (0.35) L3MBTL1MAPTHSD17B10KDM4ENPSR1
SCHEMBL28591897 0.69 ESR1 (0.40) ESR1ESR2MAPTHSD17B10KDM4E

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-0523803-A1 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1993-01-20 EP disclosed
US-5175177-A 1,2,4-OXADIAZOLYL-PHENOXYALKYLISOXAZOLES AND THEIR USE AS ANTIVIRAL AGENTS STERLING DRUG INC. (US) 1992-12-29 US disclosed