SCHEMBL7989605

SCHEMBL7989605

COc1cc(C(=O)c2c(-c3ccc(OCCN4CCCC4)cc3)sc3ccccc23)ccc1Cc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.62
ESR2 Q92731 18/20 0.62
F2 P00734 1/20 0.57
ENPP3 O14638 1/20 0.49
ENPP1 P22413 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
Oxalic Acid SCHEMBL7983157 0.82 ESR1 (0.64) ESR1ESR2F2ENPP3ENPP1
SCHEMBL7414713 0.80 ESR1 (0.73) ESR1ESR2F2
Oxalic Acid SCHEMBL7411202 0.80 ESR1 (0.70) ESR1ESR2F2
SCHEMBL7768296 0.79 ESR1 (0.71) ESR1ESR2F2
SCHEMBL7409821 0.79 ESR1 (0.98) ESR1ESR2F2ENPP3ENPP1
SCHEMBL4651940 0.79 ESR1 (0.98) ESR1ESR2F2ENPP3ENPP1
SCHEMBL6595006 0.78 ESR1 (1.00) ESR1ESR2F2ENPP3ENPP1
SCHEMBL4650742 0.78 ESR1 (1.00) ESR1ESR2F2ENPP3ENPP1
SCHEMBL6595547 0.78 ESR1 (0.92) ESR1ESR2F2
SCHEMBL7936846 0.77 ESR1 (0.98) ESR1ESR2F2

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