SCHEMBL9017486

SCHEMBL9017486

COc1ccc2[nH]c(-c3ccc(F)cc3)c(C(C)C(=O)O)c2c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 9/20 0.41
TUBB P07437 9/20 0.41
TUBA3C P0DPH7 9/20 0.41
TUBA1B P68363 9/20 0.41
TUBA4A P68366 9/20 0.41
TUBB4B P68371 9/20 0.41
TUBB3 Q13509 9/20 0.41
TUBB2A Q13885 9/20 0.41
TUBB8 Q3ZCM7 9/20 0.41
TUBA3E Q6PEY2 9/20 0.41
TUBA1A Q71U36 9/20 0.41
TUBA1C Q9BQE3 9/20 0.41
TUBB6 Q9BUF5 9/20 0.41
TUBB2B Q9BVA1 9/20 0.41
TUBB1 Q9H4B7 9/20 0.41
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9017495 0.83 PPARG (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9017478 0.74 LPAR1 (0.40) MAPT
SCHEMBL9094851 0.73 PTPN5 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28974919 0.72 CNR1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9017481 0.70 MEN1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7694013 0.70 AKR1C2 (0.46) MAPT
SCHEMBL7693001 0.68 AKR1C2 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7699488 0.67 ALDH1A1 (0.50) MAPT
SCHEMBL30218293 0.67 AKR1C3 (0.39) MAPTCNR1
SCHEMBL17845147 0.67 LMNA (0.41) 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
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO disclosed