SCHEMBL9017481

SCHEMBL9017481

COc1ccc2[nH]c(-c3ccc(F)cc3)c(C(C)C(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
TUBB1 Q9H4B7 2/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46

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
SCHEMBL7242332 0.83 PTGS2 (0.54) MEN1KMT2AMAPT
SCHEMBL28974919 0.81 CNR1 (0.54) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL5270294 0.79 AKR1C2 (0.58) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL6295747 0.79 ABCG2 (0.51) MEN1KMT2AGAATUBB4ATUBB
SCHEMBL8648925 0.79 AKR1C2 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31006395 0.76 KDM4E (0.64) KDM4EALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL22118325 0.76 KDM4E (0.64) KDM4EALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL7237905 0.75 PTGS2 (0.59) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL2560558 0.74 MTNR1A (0.51) MEN1KMT2AGAATUBB4ATUBB
SCHEMBL15073410 0.74 MAPK14 (0.62) MEN1KMT2ATUBB4ATUBBTUBA3C

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