SCHEMBL6422907

SCHEMBL6422907

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.39
MAPT P10636 2/20 0.38
WRN Q14191 2/20 0.38
OPRM1 P35372 2/20 0.36
LMNA P02545 3/20 0.36
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BUB1 O43683 3/20 0.34
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6422071 0.84 ALPL (0.35) ALPLMAPTWRNOPRM1HSP90AA1
SCHEMBL7122832 0.82 ALPL (0.40) ALPLMAPTWRNOPRM1LMNA
SCHEMBL6423040 0.81 ALPL (0.34) ALPLMAPTWRNOPRM1BUB1
SCHEMBL6421909 0.81 MAPT (0.33) ALPLMAPTWRNBUB1
SCHEMBL6376468 0.73 GCGR (0.38) ALPLMAPTWRNOPRM1LMNA
SCHEMBL8129664 0.73 MAPT (0.45) ALPLMAPTLMNAALDH1A1MEN1
SCHEMBL7123071 0.71 ALPL (0.36) ALPLMAPTOPRM1LMNABUB1
SCHEMBL7127715 0.68 ALPL (0.34) ALPLMAPTOPRM1LMNABUB1
SCHEMBL6421617 0.66 CETP (0.42)
SCHEMBL6955568 0.65 NPC1 (0.48) MAPTLMNARAB9AALDH1A1KMT2A

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