SCHEMBL28656175

SCHEMBL28656175

CC(C)COC(=O)CCC(=O)OCC(C)C.CC(C)OC(=O)CC(C(=O)O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
RAB9A P51151 1/20 0.35
MMP1 P03956 4/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 1/20 0.33
STING1 Q86WV6 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MMP14 P50281 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL2456874 0.79 CYP2D6 (0.40) CYP2C9CYP2C19HIF1ARAB9AMMP1
SCHEMBL16415925 0.75 HIF1A (0.39) LMNACYP2C9CYP2C19HIF1ARAB9A
SCHEMBL19822814 0.74 LMNA (0.48) LMNAALDH1A1GAA
SCHEMBL2216450 0.74 CYP2D6 (0.51) CYP2C9CYP2C19HIF1AALDH1A1NPSR1
SCHEMBL2458856 0.74 CYP2D6 (0.37) RAB9AEPHX2ALDH1A1CYP2D6
SCHEMBL27633050 0.71 LMNA (0.46) LMNAEPHX2ALDH1A1NPSR1GAA
SCHEMBL1915636 0.70 CYP2C9 (0.41) CYP2C9CYP2C19HIF1ASTING1EPHX2
SCHEMBL1915638 0.70 CYP2C9 (0.41) CYP2C9CYP2C19HIF1ASTING1EPHX2
SCHEMBL2420657 0.70 MAPT (0.44) CYP2C9CYP2C19HIF1AEPHX2ALDH1A1
SCHEMBL15668893 0.69 CYP2C19 (0.47) LMNACYP2C9CYP2C19HIF1ARAB9A

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-109923170-B Master batch composition and polypropylene resin composition containing the same 胜亚诺盟股份有限公司 2021-10-26 CN disclosed