SCHEMBL2850128

SCHEMBL2850128

CC(C)(C)P(c1ccccc1Nc1ccccc1P(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL23847891 0.84 POLB (0.40) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL30486460 0.84 POLB (0.40) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL1315082 0.80 MAPK1 (0.32) MAPK1TDP1
SCHEMBL30480018 0.80 MAPK1 (0.32) MAPK1TDP1
SCHEMBL2851891 0.73 MAPT (0.31) MEN1KMT2ATDP1L3MBTL1
SCHEMBL333685 0.73 ALDH1A1 (0.30) L3MBTL1
SCHEMBL29492107 0.73 ALDH1A1 (0.30) L3MBTL1
SCHEMBL1156372 0.71 TSHR (0.43) TDP1
SCHEMBL16694099 0.70 ALDH1A1 (0.50) TDP1
SCHEMBL29590037 0.70 ALDH1A1 (0.50) TDP1

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