SCHEMBL6422071

SCHEMBL6422071

COC(=O)Oc1c(C2CCCC2)cc2c(c1-c1ccc(F)cc1)C(=O)CC(C)(C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PTGDR Q13258 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
BUB1 O43683 1/20 0.33
WRN Q14191 1/20 0.32
SSTR5 P35346 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
OPRM1 P35372 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CETP P11597 1/20 0.31
SLC6A4 P31645 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
SCHEMBL6421909 0.85 MAPT (0.33) ALPLMAPTBUB1WRN
SCHEMBL7123071 0.84 ALPL (0.36) ALPLPTGDR2PTGDRMAPTBUB1
SCHEMBL6422907 0.84 ALPL (0.39) ALPLMAPTBUB1WRNHSP90AA1
SCHEMBL6421617 0.83 CETP (0.42) PTGDR2PTGDRCNR1CNR2SSTR5
SCHEMBL8129664 0.80 MAPT (0.45) ALPLMAPTALDH1A1TP53NPSR1
SCHEMBL6424437 0.77 CETP (0.36) PTGDR2PTGDRCNR2SSTR5ALOX5AP
SCHEMBL6423040 0.77 ALPL (0.34) ALPLMAPTBUB1WRNOPRM1
SCHEMBL7127715 0.72 ALPL (0.34) ALPLMAPTBUB1SSTR5OPRM1
SCHEMBL7122832 0.71 ALPL (0.40) ALPLMAPTBUB1WRNHSP90AA1
SCHEMBL6376468 0.69 GCGR (0.38) ALPLMAPTBUB1WRNOPRM1

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-1017659-B1 SUBSTITUTED TETRAHYDRONAPHTHALINE AND ANALOGOUS COMPOUNDS BAYER HEALTHCARE AG (DE) 2005-04-27 EP disclosed
EP-1017659-A1 SUBSTITUTED TETRAHYDRONAPHTHALINE AND ANALOGOUS COMPOUNDS BAYER AG (DE) 2000-07-12 EP disclosed
WO-1999014174-A1 SUBSTITUTED TETRAHYDRONAPHTHALINE AND ANALOGOUS COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1999-03-25 WO disclosed