SCHEMBL9741966

SCHEMBL9741966

CCCCC(=O)c1ccc2c3c(ccc2c1)-c1ccc(Br)cc1C3c1ccc(OCCCNCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.41
ESR2 Q92731 2/20 0.41
THRA P10827 1/20 0.37
MMP1 P03956 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9741973 0.87 THRA (0.42) ESR1ESR2THRAMMP1L3MBTL1
SCHEMBL9741976 0.86 ESR1 (0.41) ESR1ESR2THRAMMP1L3MBTL1
SCHEMBL8966583 0.75 THRA (0.43) ESR1ESR2THRA
SCHEMBL9742252 0.72 ESR1 (0.45) ESR1ESR2THRAL3MBTL1
SCHEMBL9741860 0.72 ESR1 (0.43) ESR1ESR2THRAL3MBTL1
SCHEMBL8966124 0.69 ESR1 (0.53) ESR1ESR2L3MBTL1
SCHEMBL17765395 0.69 PDE4D (0.42) THRA
SCHEMBL17773361 0.68 HSD17B3 (0.35) THRAL3MBTL1
SCHEMBL31235645 0.68 NR5A1 (0.45) TP53MAPT
SCHEMBL1309184 0.66 MAPT (0.40) ESR1ESR2THRATP53MAPT

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