SCHEMBL5548499

SCHEMBL5548499

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Zr](Cl)(Cl)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.C[Si](O)(O)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
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
SCHEMBL2523910 0.88 BRD4 (0.33)
SCHEMBL5549304 0.85 NR1H4 (0.30) NR1H4
SCHEMBL21403459 0.84 BRD4 (0.31)
SCHEMBL7849130 0.83 PDCD1 (0.33) NR1H4
SCHEMBL15313129 0.81
SCHEMBL4758198 0.80
SCHEMBL2525984 0.79 PDCD1 (0.33)
SCHEMBL5754511 0.79 GPR84 (0.32)
SCHEMBL7943368 0.78 PDCD1 (0.33)
Hydrochloric Acid SCHEMBL31386845 0.78 PDCD1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828266-A1 METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS Novolen Technology Holdings, C.V. (NL) 2007-09-05 EP disclosed
WO-2006060544-A1 METALLOCENE CATALYSTS, THEIR SYNTHESIS AND THEIR USE FOR THE POLYMERIZATION OF OLEFINS NOVOLEN TECHNOLOGY HOLDINGS C.V. (NL) 2006-06-08 WO disclosed