SCHEMBL2848633

SCHEMBL2848633

CC(C)(C)P(c1ccccc1N(c1ccccc1)c1ccccc1P(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6733419 0.78 MAPT (0.38) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL31310908 0.78 MAPT (0.38) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL2851162 0.78 ALDH1A1 (0.37) CYP3A4CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL2850702 0.78
SCHEMBL2852135 0.77
SCHEMBL2850826 0.74 ALDH1A1 (0.34) CYP3A4CYP2C9CYP2C19KDM4EALDH1A1
Fluoride Ion SCHEMBL29695344 0.74 MAPT (0.35) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL18287385 0.74 ALDH1A1 (0.37) CYP3A4CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL1315082 0.73 MAPK1 (0.32) ALDH1A1TDP1
SCHEMBL30480018 0.73 MAPK1 (0.32) ALDH1A1TDP1

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