SCHEMBL28147803

SCHEMBL28147803

Brc1cccc(C2(c3ccccc3)OCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HSD11B1 P28845 1/20 0.37
CYP26A1 O43174 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL30959783 1.00 CHRNA1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3565013 0.82 ALDH1A1 (0.40) HSD11B1CYP26A1RXRARXRBCYP26B1
SCHEMBL1256099 0.82 CHEK2 (0.39) CYP26A1RXRARXRBCYP26B1SMN1; SMN2
SCHEMBL27825774 0.80 CHEK2 (0.38) CYP26A1RXRARXRBCYP26B1SMN1; SMN2
SCHEMBL855229 0.76 CHRNA1 (0.48) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2287075 0.75 CYP26A1 (0.33) CYP26A1RXRARXRBCYP26B1CHEK2
SCHEMBL6437554 0.73 CYP2A6 (0.40) CYP26A1RXRARXRBCYP26B1ALDH1A1
SCHEMBL9618088 0.73 MEN1 (0.46) RXRAGAAMAPK1
SCHEMBL14778257 0.73 GAA (0.46) RXRAGAAMAPK1
SCHEMBL1542779 0.73 PKM (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164846-A Synthesis method of dexketoprofen, intermediate and application thereof 南京卡文迪许生物工程技术有限公司 2024-06-11 CN claimed
CN-106748723-A A kind of preparation method of Ketoprofen 江苏工程职业技术学院 2017-05-31 CN claimed
CN-118164846-A Synthesis method of dexketoprofen, intermediate and application thereof 南京卡文迪许生物工程技术有限公司 2024-06-11 CN disclosed
CN-118164846-A Synthesis method of dexketoprofen, intermediate and application thereof 南京卡文迪许生物工程技术有限公司 2024-06-11 CN disclosed
CN-106748723-A A kind of preparation method of Ketoprofen 江苏工程职业技术学院 2017-05-31 CN disclosed