SCHEMBL7035813

SCHEMBL7035813

CCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1C(C)(C)C1C(CC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
S1PR1 P21453 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7035241 0.90 BRD4 (0.32) BRD4CREBBPS1PR1
SCHEMBL8149594 0.87 PDCD1 (0.32)
SCHEMBL7783132 0.84 BRD4 (0.35) BRD4CREBBPTNKSTNKS2PARP3
SCHEMBL6890535 0.84 BRD4 (0.35) BRD4CREBBPTNKSTNKS2PARP3
SCHEMBL7035276 0.84 BRD4 (0.33) BRD4CREBBPNPC1LMNATP53
SCHEMBL7198398 0.84 BRD4 (0.35) BRD4CREBBPTNKSTNKS2PARP3
SCHEMBL7113134 0.83 BRD4 (0.32) BRD4CREBBP
Hydrochloric Acid SCHEMBL8163733 0.83 BRD4 (0.32) BRD4CREBBP
Hydrochloric Acid SCHEMBL5697222 0.83 BRD4 (0.32) BRD4CREBBP
Hydrochloric Acid SCHEMBL6459366 0.83 BRD4 (0.34) BRD4CREBBP

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
US-6620953-B1 Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts BASSELL POLYOLEFINE GMBH (DE) 2003-09-16 US disclosed
EP-1133504-B1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2003-03-12 EP disclosed
EP-1133504-A1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES Basell Polypropylen GmbH (DE) 2001-09-19 EP disclosed
WO-2000031091-A1 METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES BASELL POLYPROPYLEN GMBH (DE) 2000-06-02 WO disclosed