SCHEMBL2850826

SCHEMBL2850826

CCP(CC)c1ccccc1N(c1ccccc1)c1ccccc1P(CC)CC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.34
GLA P06280 1/20 0.34
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL2846092 0.85 TP53 (0.33) ALDH1A1MAPTTDP1KDM4ECYP1A2
SCHEMBL2851162 0.79 ALDH1A1 (0.37) ALDH1A1MAPTTDP1KDM4ECYP1A2
SCHEMBL2846430 0.79
SCHEMBL2849595 0.78
SCHEMBL18287385 0.75 ALDH1A1 (0.37) ALDH1A1MAPTTDP1KDM4ECYP1A2
SCHEMBL30616094 0.75 TP53 (0.36) ALDH1A1KDM4ECYP1A2CYP2D6TSHR
SCHEMBL2912079 0.75 TP53 (0.36) ALDH1A1KDM4ECYP1A2CYP2D6TSHR
SCHEMBL2851944 0.74 TSHR (0.37) ALDH1A1MAPTTDP1KDM4ECYP1A2
SCHEMBL2848633 0.74 CYP3A4 (0.33) ALDH1A1MAPTTDP1KDM4ECYP1A2
SCHEMBL2850107 0.73 TDP1 (0.44) ALDH1A1MAPTTDP1KDM4ECYP1A2

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