SCHEMBL28633712

SCHEMBL28633712

CCCCC(CC)CNn1nnc2c(C)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 5/20 0.44
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 3/20 0.36
TLR8 Q9NR97 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 2/20 0.35
GRM2 Q14416 2/20 0.35
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
CRHR1 P34998 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
PPARG P37231 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL728570 0.82 ALDH1A1 (0.45) CYP4Z1ALDH1A1KDM4ETSHRTLR8
SCHEMBL30882113 0.81 CYP4Z1 (0.68) CYP4Z1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL28514158 0.81 CYP4Z1 (0.68) CYP4Z1ALDH1A1KDM4ETSHRCYP3A4
SCHEMBL5162824 0.81 GRM2 (0.41) CYP4Z1ALDH1A1KDM4ETSHRTLR8
SCHEMBL29924005 0.79 GRM2 (0.46) ALDH1A1KDM4ETSHRTLR8KMT2A
SCHEMBL23722806 0.76 TLR8 (0.36) CYP4Z1ALDH1A1KDM4ETSHRTLR8
SCHEMBL14785506 0.74 TLR8 (0.35) ALDH1A1KDM4ETSHRTLR8CYP3A4
SCHEMBL2230293 0.74 TLR8 (0.38) ALDH1A1KDM4ETSHRTLR8KMT2A
SCHEMBL728569 0.74 GRM2 (0.41) ALDH1A1KDM4ETSHRTLR8KMT2A
SCHEMBL29367533 0.74 GRM2 (0.41) ALDH1A1KDM4ETSHRTLR8KMT2A

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
CN-113366093-A Use of a paraffin-based fuel composition for cleaning internal parts of a diesel engine 道达尔能源销售服务公司 2021-09-07 CN claimed