SCHEMBL6897160

Cc1ccc(C2=Cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3C2[Zr]C2C(c3ccc(C)cn3)=Cc3c(-c4ccc([Si](C)(C)C)cc4)cccc32)nc1

nearest known ligand 0.33

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CCR1	P32246	1/20	0.33

▸	CCR5	P51681	1/20	0.33

▸	CCR8	P51685	1/20	0.33

▸	HDAC6	Q9UBN7	1/20	0.33

▸	CYP3A4	P08684	1/20	0.32

▸	CYP2A6	P11509	1/20	0.32

▸	PTGS2	P35354	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.

Compound	similarity	top predicted	shared targets
SCHEMBL6902522	0.92	CCR1 (0.37)	CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL6903898	0.89	CYP3A4 (0.37)	CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL6901825	0.87	ALDH1A1 (0.34)	CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL6902565	0.86	CCR1 (0.32)	CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL6902299	0.86	CCR1 (0.32)	CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL6901820	0.84	PKM (0.32)	—
SCHEMBL6902576	0.84	SMN1; SMN2 (0.33)	CCR1CCR5CCR8HDAC6
Hydrochloric Acid SCHEMBL6897621	0.83	CYP3A4 (0.33)	CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL6902359	0.83	CYP3A4 (0.36)	CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL6902650	0.82	RAB9A (0.39)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1033371-B1	Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins	BASELL POLYOLEFINE GMBH (DE)	2004-01-28	—	—	EP	claimed