SCHEMBL7106045

SCHEMBL7106045

COc1cccc(-c2sc3ccccc3c2Oc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.53
NAPEPLD Q6IQ20 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAOB P27338 3/20 0.50
HCRTR1 O43613 1/20 0.46
SENP5 Q96HI0 2/20 0.46
SENP2 Q9HC62 2/20 0.46
SENP1 Q9P0U3 2/20 0.46
BCHE P06276 1/20 0.44
PTPN1 P18031 2/20 0.43
ATM Q13315 2/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 2/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42

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
SCHEMBL7105405 0.94 MAOB (0.50) ITGA4NAPEPLDL3MBTL1MAOBHCRTR1
SCHEMBL7101796 0.85 ESR1 (0.50) ITGA4NAPEPLDL3MBTL1ATMESR1
SCHEMBL7101962 0.85 ITGA4 (0.58) ITGA4NAPEPLDL3MBTL1HCRTR1PTPN1
SCHEMBL7106562 0.85 ITGA4 (0.58) ITGA4NAPEPLDL3MBTL1HCRTR1ATM
SCHEMBL8377008 0.84 TUBB4A (0.61) MAOBESR1ESR2TUBB4ATUBB
SCHEMBL7106487 0.84 MGAM (0.44) ITGA4NAPEPLDSENP5SENP2SENP1
SCHEMBL7101119 0.83 ERN1 (0.43) ITGA4NAPEPLDL3MBTL1SENP5SENP2
SCHEMBL7101025 0.83 ITGA4 (0.51) ITGA4NAPEPLDL3MBTL1HCRTR1PTPN1
SCHEMBL7108616 0.83 ITGA4 (0.51) ITGA4NAPEPLDL3MBTL1HCRTR1PTPN1
SCHEMBL30619799 0.81 TUBB4A (0.54) MAOBESR1ESR2TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5952513-A TREATING POSTMENOPAUSAL SYNDROME SUCH AS OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-14 US disclosed
US-5843965-A Benzo B! thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
EP-0827959-A2 Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed