SCHEMBL28095183

SCHEMBL28095183

CCCCC(CC)COC(=O)/C=C(/C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
CYP3A4 P08684 5/20 0.54
TDP1 Q9NUW8 2/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 7/20 0.48
CA2 P00918 3/20 0.48
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL31362015 0.88 TSHR (0.63) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL363064 0.88 TSHR (0.63) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL29109724 0.85 TSHR (0.60) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL9008212 0.83 TSHR (0.65) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL25573720 0.83 TSHR (0.42) TSHRCYP3A4TDP1ATMCA2
SCHEMBL9008203 0.83 TSHR (0.65) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL9169357 0.83 TSHR (0.54) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL10484300 0.83 TSHR (0.78) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL423544 0.82 TSHR (0.77) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL226708 0.82 TSHR (0.77) TSHRCYP3A4TDP1ATMALDH1A1

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-105934475-A High impact strength flexible copolymers 北欧化工公司 2016-09-07 CN disclosed