SCHEMBL5087968

SCHEMBL5087968

CCC1=CCC(c2ccc3ccccc3c2CNc2ccccc2)=C1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 2/20 0.39
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
P2RX4 Q99571 1/20 0.31
NCEH1 Q6PIU2 1/20 0.30
CYP2D6 P10635 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
SCHEMBL3201624 0.80 ALDH1A1 (0.41) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3198690 0.75 ALDH1A1 (0.41) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3210917 0.73 ALDH1A1 (0.41) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3215795 0.72 ALDH1A1 (0.41) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3214169 0.72 ALDH1A1 (0.41) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3189320 0.72 ALDH1A1 (0.42) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3201496 0.70 KDM4E (0.39) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3202637 0.68 KDM4E (0.39) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3679016 0.66 ALDH1A1 (0.39) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A
SCHEMBL3199952 0.65 ALDH1A1 (0.41) ALDH1A1ALOX12CYP1A2HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed