SCHEMBL28282908

SCHEMBL28282908

CCCC(C=C(C)C)CCC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL31521503 0.90 TSHR (0.43) TSHRTDP1FDPS
SCHEMBL28281612 0.83 TSHR (0.46) TSHRTDP1CYP3A4FDPS
SCHEMBL25056162 0.81 KISS1R (0.31)
SCHEMBL28281546 0.79 LMNA (0.44) TSHRFDPS
SCHEMBL28282921 0.75
SCHEMBL1856831 0.74
SCHEMBL9796856 0.74
SCHEMBL6910847 0.74 TSHR (0.54) TSHRTDP1CYP3A4FDPS
SCHEMBL25478676 0.72
SCHEMBL11972934 0.71 TSHR (0.45) TSHRCYP3A4FDPS

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
CN-110167977-A Conjugated diene polymer, conjugated diene polymer composition and tire 日本弹性体株式会社 2019-08-23 CN disclosed
CN-109384982-A Modified conjugated diene polymer composition and tire 旭化成株式会社 2019-02-26 CN disclosed