SCHEMBL7529223

SCHEMBL7529223

COc1ccc(C2=C(c3cc(OC(C)N4CCCCC4)ccc3CO)c3ccccc3CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ESR1 P03372 5/20 0.39
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ESR2 Q92731 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HPGD P15428 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL7528373 0.99 EBP (0.44) EBPSIGMAR1ESR1MAPTNPC1
SCHEMBL7530401 0.92 EBP (0.49) EBPSIGMAR1ESR1MAPTNPC1
SCHEMBL7529402 0.83 EBP (0.41) EBPSIGMAR1ESR1MAPTNPC1
SCHEMBL7532740 0.81 EBP (0.39) EBPSIGMAR1ESR1MAPTNPC1
SCHEMBL7529228 0.77 P4HB (0.37) EBPSIGMAR1ESR1MAPTNPC1
SCHEMBL7529404 0.76 ESR1 (0.45) ESR1MAPTNPC1RAB9AALDH1A1
SCHEMBL7531873 0.76 EBP (0.44) EBPSIGMAR1ESR1MAPTNPC1
SCHEMBL7528378 0.76 HPGD (0.37) EBPSIGMAR1ESR1MAPTNPC1
SCHEMBL8625511 0.75 EBP (0.64) EBPSIGMAR1ESR1MAPTNPC1
SCHEMBL7532743 0.74 ESR1 (0.43) ESR1MAPTRAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832883-B1 Tetrahydrobenzo(a)fluorene compounds and methods of use LILLY CO ELI (US) 2002-04-03 EP disclosed