SCHEMBL7107022

SCHEMBL7107022

COc1cccc(-c2sc3cc(OC)ccc3c2Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 2/20 0.48
PTPN1 P18031 1/20 0.48
HCRTR1 O43613 1/20 0.46
ITGA4 P13612 1/20 0.45
NAPEPLD Q6IQ20 1/20 0.45
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44

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
SCHEMBL15954746 0.90 TUBB4A (0.48) L3MBTL1ATMPTPN1TUBB4ATUBB
SCHEMBL7106457 0.88 ITGA4 (0.53) L3MBTL1ATMPTPN1HCRTR1ITGA4
SCHEMBL6832588 0.86 TUBB4A (0.57) L3MBTL1ATMPTPN1TUBB4ATUBB
SCHEMBL20425283 0.84 TUBB4A (0.51) L3MBTL1ATMTUBB4ATUBBTUBA3C
SCHEMBL30610956 0.84 TUBB4A (0.51) L3MBTL1ATMTUBB4ATUBBTUBA3C
SCHEMBL7106224 0.82 MAPT (0.55) L3MBTL1ATMHCRTR1ITGA4NAPEPLD
SCHEMBL15953202 0.81 APP (0.50) L3MBTL1ATMTUBB4ATUBBTUBA3C
SCHEMBL7944332 0.81 TUBB4A (0.49) L3MBTL1ATMTUBB4ATUBBTUBA3C
SCHEMBL26625250 0.81 TUBB4A (0.49) L3MBTL1ATMTUBB4ATUBBTUBA3C
SCHEMBL7102048 0.81 TUBB4A (0.49) L3MBTL1ATMTUBB4ATUBBTUBA3C

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