SCHEMBL4666138

SCHEMBL4666138

CCCCc1ccccc1-c1cc(C)c(N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.46
TLR8 Q9NR97 2/20 0.41
DHFR P00374 1/20 0.41
ALDH1A1 P00352 3/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27498291 0.80 ALDH1A1 (0.50) SKP2TLR8ALDH1A1NR1H2NR1H3
SCHEMBL2701240 0.79 LIPG (0.50) TLR8NR1H2NR1H3LIPGCYP3A4
SCHEMBL27456996 0.78 ALDH1A1 (0.48) SKP2TLR8ALDH1A1NR1H2NR1H3
SCHEMBL11636133 0.78 SKP2 (0.42) SKP2TLR8ALDH1A1NR1H2NR1H3
SCHEMBL11081414 0.78 LIPG (0.43) TLR8NR1H2NR1H3LIPGCYP3A4
SCHEMBL11458369 0.78 SKP2 (0.40) SKP2TLR8ALDH1A1NR1H2NR1H3
SCHEMBL11396658 0.78 SKP2 (0.40) SKP2TLR8DHFRALDH1A1NR1H2
SCHEMBL12072847 0.78 SKP2 (0.41) SKP2TLR8ALDH1A1LIPGCYP3A4
SCHEMBL23093069 0.76 ALDH1A1 (0.59) SKP2TLR8ALDH1A1CYP3A4TSHR
SCHEMBL2654889 0.75 TYR (0.51) ALDH1A1LIPGCYP3A4TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926706-A2 PESTICIDE BI-PHENYL-AMIDINE DERIVATIVES Bayer CropScience AG (DE) 2008-06-04 EP disclosed
WO-2007031512-A2 PESTICIDE BI-PHENYL-AMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-22 WO disclosed