SCHEMBL7529402

SCHEMBL7529402

COc1ccc(C2=C(c3cc(OC(C)N4CCCC4)ccc3C=O)c3ccccc3CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ESR1 P03372 2/20 0.37
MAPT P10636 6/20 0.35
ALDH1A1 P00352 6/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL7532740 0.94 EBP (0.39) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL7531873 0.91 EBP (0.44) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL7528373 0.84 EBP (0.44) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL7529223 0.83 EBP (0.44) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL7529404 0.77 ESR1 (0.45) ESR1MAPTALDH1A1NPC1RAB9A
SCHEMBL8625511 0.76 EBP (0.64) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL7530401 0.74 EBP (0.49) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL7528378 0.74 HPGD (0.37) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL7529228 0.74 P4HB (0.37) EBPSIGMAR1ESR1MAPTALDH1A1
SCHEMBL7532743 0.73 ESR1 (0.43) ESR1MAPTALDH1A1RAB9ALMNA

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