SCHEMBL7529404

SCHEMBL7529404

COc1ccc(C2=C(C(=O)c3ccc(OC(C)N4CCCC4)cc3)c3ccccc3CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 3/20 0.42
ALOX12 P18054 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.40
TSHR P16473 3/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL7532743 0.95 ESR1 (0.43) ESR1ESR2ALDH1A1KDM4ELMNA
SCHEMBL11481224 0.91 ESR1 (0.54) ESR1ESR2ALDH1A1KDM4ELMNA
SCHEMBL8609912 0.90 ESR1 (0.51) ESR1ESR2ALDH1A1LMNAMAPT
SCHEMBL7942835 0.85 ALDH1A1 (0.46) ESR1ESR2ALDH1A1KDM4ELMNA
SCHEMBL4651132 0.84 ESR1 (0.40) ESR1ESR2ALDH1A1KDM4ELMNA
SCHEMBL7946063 0.82 ESR1 (0.49) ESR1ESR2ALDH1A1KDM4ELMNA
SCHEMBL7942846 0.81 ESR1 (0.51) ESR1ESR2ALDH1A1KDM4EGAA
SCHEMBL4653144 0.81 ACHE (0.39) ESR1ESR2ALDH1A1KDM4ELMNA
SCHEMBL7528378 0.80 HPGD (0.37) ESR1ALDH1A1LMNAMAPTMEN1
Trioxifene SCHEMBL4651963 0.80 ESR1 (0.69) ESR1ESR2

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-0832883-B1 Tetrahydrobenzo(a)fluorene compounds and methods of use LILLY CO ELI (US) 2002-04-03 EP disclosed
US-5821253-A INHIBIT BONE LOSS OR RESORPTION, LOWER SERUM CHOLESTEROL LEVELS ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
EP-0832883-A1 Tetrahydrobenzo(a)fluorene compounds and methods of use ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed