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SCHEMBL9741973

SCHEMBL9741973

CCCCC(=O)c1ccc2c3c(ccc2c1)-c1ccc(Br)cc1C3c1ccc(OCCCN(C)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.42
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ THRB P10828 3/20 0.38
▸ LSS P48449 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL9741966 0.87 ESR1 (0.41) THRAESR1ESR2L3MBTL1MAPT
SCHEMBL9741976 0.84 ESR1 (0.41) THRAESR1ESR2THRBL3MBTL1
SCHEMBL8966583 0.79 THRA (0.43) THRAESR1ESR2THRB
SCHEMBL9742252 0.75 ESR1 (0.45) THRAESR1ESR2THRBL3MBTL1
SCHEMBL9741860 0.75 ESR1 (0.43) THRAESR1ESR2THRBL3MBTL1
SCHEMBL8966131 0.70 ESR1 (0.53) ESR1ESR2
SCHEMBL17765395 0.68 PDE4D (0.42) THRATHRBLMNA
SCHEMBL17773361 0.68 HSD17B3 (0.35) THRATHRBL3MBTL1
SCHEMBL31235645 0.68 NR5A1 (0.45) MAPTTP53LMNA
SCHEMBL1309184 0.65 MAPT (0.40) THRAESR1ESR2THRBMAPT

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
US-5147880-A Estrogenic and antiestrogenic activity ELI LILLY AND COMPANY (US) 1992-09-15 — — US disclosed