SCHEMBL7103079

SCHEMBL7103079

COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.69
CNR2 P34972 2/20 0.69
TUBB4A P04350 2/20 0.69
TUBB P07437 2/20 0.69
TUBA3C P0DPH7 2/20 0.69
TUBA1B P68363 2/20 0.69
TUBA4A P68366 2/20 0.69
TUBB4B P68371 2/20 0.69
TUBB3 Q13509 2/20 0.69
TUBB2A Q13885 2/20 0.69
TUBB8 Q3ZCM7 2/20 0.69
TUBA3E Q6PEY2 2/20 0.69
TUBA1A Q71U36 2/20 0.69
TUBA1C Q9BQE3 2/20 0.69
TUBB6 Q9BUF5 2/20 0.69
TUBB2B Q9BVA1 2/20 0.69
TUBB1 Q9H4B7 2/20 0.69
ESR1 P03372 9/20 0.61
ESR2 Q92731 8/20 0.61
MEN1 O00255 1/20 0.56

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
SCHEMBL5026252 0.94 CNR1 (0.78) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL31683596 0.93 TUBB4A (0.60) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL11551310 0.92 ESR1 (0.65) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL11552625 0.89 CNR2 (0.88) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL7075354 0.89 CNR1 (0.70) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL7148725 0.89 CNR1 (0.70) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL1665792 0.89 CNR1 (0.70) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL6836439 0.88 CNR1 (0.69) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL22190469 0.88 CNR1 (0.69) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL7098723 0.88 CNR1 (0.69) CNR1CNR2TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838464-B1 Substituted benzo(b)thiophene compounds having activity as selective estrogen receptor modulators LILLY CO ELI (US) 2003-09-10 EP claimed
EP-0838464-A1 Substituted benzo(b)thiophene compounds having activity as selective estrogen receptor modulators ELI LILLY AND COMPANY (US) 1998-04-29 EP claimed
US-5962475-A OSTEOPOROSIS, RESTENOSIS, BREAST CANCER ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5827876-A MODIFYING BALANCE BETWEEN BONE RESORPTION AND PRODUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-27 US disclosed