SCHEMBL2846314

SCHEMBL2846314

CCN(c1ccccc1P(C1CCCCC1)C1CCCCC1)c1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2848631 0.81 KDM4E (0.33) ROCK2
SCHEMBL2196795 0.81 HTR6 (0.39) ROCK2GAA
SCHEMBL3022801 0.79 DDB1 (0.36) L3MBTL1
SCHEMBL2847317 0.79 KDM4E (0.33) GAA
SCHEMBL1315359 0.76 ROCK2 (0.35) ROCK2GAA
SCHEMBL1314189 0.74 ROCK2 (0.33) ROCK2GAA
SCHEMBL29354371 0.73 HTR6 (0.36) L3MBTL1
SCHEMBL21788 0.73 HTR6 (0.36) L3MBTL1
SCHEMBL29353225 0.73 HTR6 (0.36) L3MBTL1
SCHEMBL17583591 0.73 ROCK2 (0.33) ROCK2GAA

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-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US disclosed