SCHEMBL2771277

SCHEMBL2771277

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Zr]1(C2C(C(C)C)=Cc3c(-c4ccc(C(C)(C)C)cc4)cccc32)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.31
CREBBP Q92793 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
Hydrochloric Acid SCHEMBL7198108 0.86
SCHEMBL7161704 0.85 BRD4 (0.30) BRD4CREBBP
SCHEMBL6434202 0.79 ALDH1A1 (0.33)
SCHEMBL27337650 0.78
SCHEMBL1801597 0.78 BRD4 (0.33) BRD4CREBBP
SCHEMBL7046629 0.77 CHRNB2 (0.35) BRD4
Hydrochloric Acid SCHEMBL3213459 0.77
Hydrochloric Acid SCHEMBL29612271 0.77
SCHEMBL29287786 0.77
SCHEMBL12617135 0.77 NPC1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572359-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2010-04-28 EP disclosed
EP-1392710-A1 REDUCTION OF THE CONCENTRATION OF INORGANIC BY-PRODUCTS AND ORGANOMETALLIC BY-PRODUCTS IN THE PREPARATION OF METALLOCENES AND ECONOMICAL RECOVERY OF THE STARTING MATERIALS USED Basell Polyolefine GmbH (DE) 2004-03-03 EP disclosed
WO-2002096920-A1 REDUCTION OF THE CONCENTRATION OF INORGANIC BY-PRODUCTS AND ORGANOMETALLIC BY-PRODUCTS IN THE PREPARATION OF METALLOCENES AND ECONOMICAL RECOVERY OF THE STARTING MATERIALS USED BASELL POLYOLEFINE GMBH (DE) 2002-12-05 WO disclosed