SCHEMBL28643126

SCHEMBL28643126

CCCCCC(C)c1cc(C)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SKP2 Q13309 1/20 0.38
TLR8 Q9NR97 4/20 0.36
OPRM1 P35372 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KCNH2 Q12809 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
SCHEMBL27525500 0.85 OPRM1 (0.36) ALOX15TP53SKP2OPRM1SRC
SCHEMBL2878717 0.83 TSHR (0.38) TP53CYP3A4SKP2OPRM1SRC
SCHEMBL11538867 0.83 TSHR (0.38) TP53CYP3A4SKP2OPRM1SRC
SCHEMBL11417210 0.80 ALOX15 (0.46) TDP1ALOX15TP53CYP3A4THRB
SCHEMBL3955291 0.79 SKP2 (0.36) TDP1ALOX15TP53CYP3A4SKP2
SCHEMBL23406316 0.79 SRC (0.43) PDE5ATDP1TP53SRCCNR1
SCHEMBL3656115 0.79 SRC (0.43) PDE5ATDP1TP53SRCCNR1
SCHEMBL9500852 0.79 SRC (0.43) PDE5ATDP1TP53SRCCNR1
SCHEMBL10475045 0.79 SRC (0.43) PDE5ATDP1TP53SRCCNR1
SCHEMBL7684623 0.79 SRC (0.43) PDE5ATDP1TP53SRCCNR1

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-109476844-B Sprayed insulating and protective coating SWIMC有限公司 2021-08-31 CN disclosed