SCHEMBL7990712

SCHEMBL7990712

COC(=O)CCCOc1ccc(-c2sc3cc(O)ccc3c2Cc2ccc(CN3CCCC3)c(OC)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.80
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL7989322 0.93 F2 (0.81) F2ESR1ESR2
SCHEMBL7983358 0.92 F2 (0.79) F2ESR1ESR2
SCHEMBL7985805 0.91 F2 (0.66) F2ESR1ESR2
SCHEMBL7972046 0.91 F2 (0.66) F2ESR1ESR2
SCHEMBL7986006 0.90 F2 (0.89) F2ESR1ESR2
SCHEMBL6594996 0.89 F2 (1.00) F2ESR1ESR2
Oxalic Acid SCHEMBL7971937 0.89 F2 (0.79) F2ESR1ESR2
SCHEMBL7452488 0.88 F2 (1.00) F2ESR1ESR2
SCHEMBL7985961 0.88 F2 (0.80) F2ESR1ESR2
Oxalic Acid SCHEMBL7985630 0.87 F2 (0.61) F2ESR1ESR2

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-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed