SCHEMBL28347231

SCHEMBL28347231

CCCCCCCOC1CCC(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.38
SGPL1 O95470 5/20 0.38
GBA1 P04062 1/20 0.38
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL10278211 0.93 S1PR1 (0.36) S1PR1SGPL1
SCHEMBL11007607 0.90 NAAA (0.38) S1PR1SGPL1GBA1CYP1A2ALDH1A1
SCHEMBL8743942 0.89 GBA1 (0.40) S1PR1SGPL1GBA1CYP1A2ALDH1A1
SCHEMBL21047817 0.89 GBA1 (0.40) S1PR1SGPL1GBA1CYP1A2ALDH1A1
SCHEMBL21047634 0.89 GBA1 (0.40) S1PR1SGPL1GBA1CYP1A2ALDH1A1
SCHEMBL21047655 0.89 GBA1 (0.40) S1PR1SGPL1GBA1CYP1A2ALDH1A1
SCHEMBL21047710 0.89 GBA1 (0.40) S1PR1SGPL1GBA1CYP1A2ALDH1A1
SCHEMBL10598952 0.88 NAAA (0.36) S1PR1SGPL1EPHX2
SCHEMBL9405869 0.87 EPHX2 (0.40) S1PR1SGPL1GBA1CYP1A2ALDH1A1
SCHEMBL28493753 0.87 NAAA (0.42) S1PR1SGPL1GBA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999893-B Method for encapsulating active substances in droplets and other compartments 宝洁公司 2020-07-14 CN claimed
CN-106999361-B Compositions comprising encapsulated actives in droplets and other compartments 宝洁公司 2019-12-24 CN claimed
CN-106999893-B Method for encapsulating active substances in droplets and other compartments 宝洁公司 2020-07-14 CN disclosed
CN-106999361-B Compositions comprising encapsulated actives in droplets and other compartments 宝洁公司 2019-12-24 CN disclosed