SCHEMBL8467405

SCHEMBL8467405

COc1ccc(-c2sc3cc(OC(C)C)ccc3c2Oc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52
TUBB2B Q9BVA1 2/20 0.52
TUBB1 Q9H4B7 2/20 0.52
ESR1 P03372 16/20 0.50
ESR2 Q92731 4/20 0.49
EDNRA P25101 1/20 0.49
MCL1 Q07820 1/20 0.43

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
SCHEMBL8464870 0.96 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8377008 0.92 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20442802 0.87 ESR1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26625400 0.86 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30619799 0.86 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7105405 0.83 MAOB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16345764 0.82 ESR1 (0.60) ESR1ESR2
SCHEMBL7105372 0.81 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16380499 0.81 ESR1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16346479 0.81 ESR1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856340-A 2-PHENYL-3-/ALKOXYPHENOXY OR PHENYLTHIO/BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-01-05 US disclosed
US-5723474-A TREATING POST-MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION; ANTIESTROGENS ELI LILLY AND COMPANY (US) 1998-03-03 US disclosed