SCHEMBL8340754

SCHEMBL8340754

Cc1ccc(-c2c(C(=O)c3ccc(O)cc3)sc3cc(OC(=O)c4ccccc4)ccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.61
KMT2A Q03164 3/20 0.45
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.41
NOD2 Q9HC29 1/20 0.41
ESR2 Q92731 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPBWR1 P48145 1/20 0.40

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
SCHEMBL21260801 0.85 ESR1 (0.78) ESR1MAOBESR2
SCHEMBL8341280 0.83 ESR1 (0.86) ESR1KMT2AMAOBESR2
SCHEMBL8340581 0.82 ESR1 (0.74) ESR1MAOBESR2
SCHEMBL8341825 0.78 ESR1 (0.50) ESR1KMT2AMAOBALDH1A1MAPT
SCHEMBL8341396 0.78 ESR1 (0.76) ESR1KMT2AESR2MAPT
SCHEMBL11599719 0.77 ESR1 (0.47) ESR1KMT2AMAOBALDH1A1GAA
SCHEMBL8340562 0.77 MAOB (0.55) ESR1KMT2AMAOBALDH1A1MAPT
SCHEMBL11599689 0.77 ESR1 (0.71) ESR1KMT2AESR2GAAMAPT
SCHEMBL15660907 0.76 ESR1 (1.00) ESR1MAOBESR2
SCHEMBL8341726 0.76 ESR1 (0.74) ESR1KMT2AMAOBESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908859-A ESPECIALLY HYPERCHOLESTEROLEMIA ELI LILLY AND COMPANY (US) 1999-06-01 US disclosed
EP-0897918-A1 Benzothiophene derivatives and their use as pharmaceutically active agents ELI LILLY AND COMPANY (US) 1999-02-24 EP disclosed