SCHEMBL7106487

SCHEMBL7106487

COc1cc(-c2sc3ccccc3c2Oc2ccc(OCc3ccccc3)cc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.44
GAA P10253 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
ESR1 P03372 9/20 0.41

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
SCHEMBL7101119 0.93 ERN1 (0.43) MGAMGAASIMGAM2TUBB4A
SCHEMBL7105372 0.92 TUBB4A (0.53) MGAMGAASIMGAM2TUBB4A
SCHEMBL7101127 0.86 ESR1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7106045 0.84 ITGA4 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8377008 0.80 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7102038 0.79 ESR1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26625400 0.78 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30619799 0.78 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7105405 0.78 MAOB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7101787 0.76 TUBB4A (0.55) MGAMGAASIMGAM2TUBB4A

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