SCHEMBL6637535

SCHEMBL6637535

CC1=C2c3c(-c4ccc(C(C)(C)C)cc4)cccc3C1[Mg]C1C(C)=C(c3c(-c4ccc(C(C)(C)C)cc4)cccc31)[Si]2(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
NR1H4 Q96RI1 3/20 0.30

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
SCHEMBL6635243 0.86 NR1H4 (0.31) BRD4CREBBPNR1H4
SCHEMBL6637351 0.84 BRD4 (0.30) BRD4CREBBP
SCHEMBL6634286 0.83
SCHEMBL7187056 0.82 BRD4 (0.32) BRD4CREBBP
SCHEMBL7187674 0.82 BRD4 (0.32) BRD4CREBBP
SCHEMBL5914834 0.81 BRD4 (0.31) BRD4CREBBP
Hydrochloric Acid SCHEMBL6455221 0.81 BRD4 (0.31) BRD4CREBBP
Hydrochloric Acid SCHEMBL4315257 0.81 BRD4 (0.31) BRD4CREBBP
SCHEMBL7188487 0.72 PARP1 (0.32) BRD4CREBBP
SCHEMBL5914864 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294734-B1 METHOD FOR THE SELECTIVE PRODUCTION OF RACEMIC METALLOCENE COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-05-19 EP disclosed