SCHEMBL28779594

SCHEMBL28779594

C=CC(=O)OC(CCCC)COc1ccc(C(=O)c2ccccc2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.47
HTT P42858 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
LSS P48449 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL9172953 0.90 HPGD (0.54) HPGDALDH1A1LMNAMAPK1CYP1A2
SCHEMBL2017572 0.90 HPGD (0.52) HPGDALDH1A1LMNAMAPK1CYP1A2
SCHEMBL29800825 0.90 HPGD (0.52) HPGDALDH1A1LMNAMAPK1CYP1A2
SCHEMBL29118732 0.87 ABCB1 (0.47) ALDH1A1LMNAMAPK1HTTLSS
SCHEMBL2775710 0.83 HPGD (0.53) HPGDALDH1A1LMNAMAPK1CYP1A2
SCHEMBL31590955 0.83 ABCB1 (0.56) ABCB1RAB9A
SCHEMBL13890821 0.83 LSS (0.47) ALDH1A1LMNAMAPK1HTTLSS
SCHEMBL29431903 0.81 HPGD (0.58) HPGDALDH1A1LMNAMAPK1CYP1A2
SCHEMBL534051 0.81 HPGD (0.58) HPGDALDH1A1LMNAMAPK1CYP1A2
SCHEMBL21647315 0.81 HPGD (0.50) HPGDALDH1A1LMNAMAPK1CYP1A2

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-110475607-B Method for preparing capsules containing at least one water-soluble or hydrophilic substance and capsules obtained by said method 卡莉西亚公司 2022-06-10 CN disclosed