SCHEMBL7106213

SCHEMBL7106213

COc1cc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)ccc1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.81
ESR2 Q92731 18/20 0.81
F2 P00734 1/20 0.58
MEN1 O00255 1/20 0.57
PLD2 O14939 1/20 0.57
KDM1A O60341 1/20 0.57
NR1I2 O75469 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
C5 P01031 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
FYN P06241 1/20 0.57
PGR P06401 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL7107455 0.92 ESR1 (0.85) ESR1ESR2F2MEN1PLD2
SCHEMBL7103350 0.91 ESR1 (0.82) ESR1ESR2MEN1PLD2KDM1A
Arzoxifene SCHEMBL285277 0.89 ESR1 (1.00) ESR1ESR2MEN1PLD2KDM1A
Arzoxifene SCHEMBL29354336 0.89 ESR1 (1.00) ESR1ESR2MEN1PLD2KDM1A
Arzoxifene SCHEMBL29351083 0.89 ESR1 (0.98) ESR1ESR2MEN1PLD2KDM1A
Arzoxifene SCHEMBL699600 0.89 ESR1 (0.98) ESR1ESR2MEN1PLD2KDM1A
Arzoxifene SCHEMBL5970803 0.89 ESR1 (0.98) ESR1ESR2MEN1PLD2KDM1A
Arzoxifene SCHEMBL5493113 0.88 ESR1 (0.96) ESR1ESR2MEN1PLD2KDM1A
Arzoxifene SCHEMBL1649149 0.88 ESR1 (0.96) ESR1ESR2MEN1PLD2KDM1A
SCHEMBL17154287 0.88 ESR1 (1.00) ESR1ESR2MEN1PLD2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977098-A Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US claimed
EP-0827959-B1 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5977382-A Benzo[b]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5977098-A Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
EP-0827959-A2 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed