SCHEMBL28899775

SCHEMBL28899775

CCCCCCC1(B(O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.34
MMP9 P14780 5/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
MMP3 P08254 1/20 0.32
CSNK1E P49674 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
HTT P42858 1/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
SOAT1 P35610 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28899874 1.00 MMP2 (0.34) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL28899942 0.99 MMP2 (0.33) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL28014873 0.84 KDM1A (0.32)
SCHEMBL9852460 0.80 OPRM1 (0.39) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL28984993 0.79 MMP2 (0.36) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL28419457 0.77 MMP2 (0.36) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL10346700 0.77 MMP2 (0.36) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL8780391 0.77 MMP2 (0.36) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL4183422 0.77 MMP2 (0.37) MMP2MMP9OPRM1OPRD1OPRK1
SCHEMBL9746020 0.77 MMP2 (0.37) MMP2MMP9OPRM1OPRD1OPRK1

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-115417823-A Preparation method of pyrimidine biphenyl aromatic ring compound 上海泰坦科技股份有限公司 2022-12-02 CN disclosed