SCHEMBL4198355

SCHEMBL4198355

Cc1cc2c(c(-c3ccc(C(C)(C)C)cc3)c1)C(=O)C(C)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.47
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PTAFR P25105 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL2424388 0.89 BRD4 (0.39) ACHEBRD4CREBBPNPC1RAB9A
SCHEMBL5952410 0.87 ACHE (0.57) ACHEMAPTMAOAMAOBMEN1
SCHEMBL4201024 0.83 METAP1 (0.35) ACHEBRD4CREBBPMAPTTSHR
SCHEMBL4194430 0.83 ACHE (0.51) ACHEBRD4TSHRMAOAMAOB
SCHEMBL5689519 0.81 ACHE (0.49) ACHEBRD4CREBBPMAOAMAOB
SCHEMBL4191823 0.74 ACHE (0.59) ACHEBRD4
SCHEMBL1021838 0.74 ACHE (0.44) ACHEBRD4CREBBPMAOAMAOB
SCHEMBL2423464 0.71 ACHE (0.41) ACHEBRD4CREBBPMAOAMAOB
SCHEMBL5951241 0.71 ACHE (0.47) ACHEBRD4CREBBPMAOAMAOB
SCHEMBL5716849 0.71 ACHE (0.49) ACHE

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-1636245-B1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2009-02-25 EP disclosed
US-20060252637-A1 Bisindenyl zirconium complexes for use in the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2006-11-09 US disclosed
EP-1636245-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2006-03-22 EP disclosed
WO-2004106351-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-12-09 WO disclosed