SCHEMBL28568634

SCHEMBL28568634

C=C(C)C(=O)OC(c1ccccc1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
POLB P06746 1/20 0.41
CHRM3 P20309 11/20 0.40
CHRM2 P08172 7/20 0.40
CHRM1 P11229 6/20 0.40
CHRM4 P08173 4/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 2/20 0.39
SLC6A3 Q01959 1/20 0.39
KIF11 P52732 1/20 0.39
HRH1 P35367 1/20 0.38
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL9615914 0.86 KEAP1 (0.45) KEAP1NFE2L2POLBCHRM3CHRM2
SCHEMBL74976 0.79 ALDH1A1 (0.35) POLBALDH1A1
SCHEMBL16942536 0.79 ALDH1A1 (0.35) POLBALDH1A1
SCHEMBL75369 0.77 MAPT (0.35) POLBALDH1A1
SCHEMBL14825632 0.75 MTNR1A (0.35) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL8988148 0.75 ELANE (0.44) ALDH1A1
SCHEMBL14825603 0.73 MTNR1A (0.35) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL16181830 0.73
SCHEMBL3180129 0.73 CYP2C19 (0.46) ALDH1A1
SCHEMBL435821 0.73 ELANE (0.45) ALDH1A1

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-112941913-A Hydrogel for treating chronic wound surface difficult to heal and preparation method thereof 温州医科大学 2021-06-11 CN claimed
CN-112941913-A Hydrogel for treating chronic wound surface difficult to heal and preparation method thereof 温州医科大学 2021-06-11 CN disclosed