SCHEMBL28523929

SCHEMBL28523929

COC(=O)C1COCC1c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.51
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 2/20 0.46
BACE1 P56817 1/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL20411416 1.00 FPR2 (0.51) FPR2SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL18264209 0.86 FPR2 (0.49) FPR2KDM1AMAOAMAOBNPC1
SCHEMBL22097655 0.86 FPR2 (0.49) FPR2KDM1AMAOAMAOBNPC1
SCHEMBL18264211 0.86 FPR2 (0.49) FPR2KDM1AMAOAMAOBNPC1
SCHEMBL20411436 0.86 FPR2 (0.49) FPR2KDM1AMAOAMAOBNPC1
SCHEMBL18264207 0.86 FPR2 (0.49) FPR2KDM1AMAOAMAOBNPC1
SCHEMBL18264263 0.86 FPR2 (0.49) FPR2KDM1AMAOAMAOBNPC1
SCHEMBL2359242 0.81 MAPT (0.56) SLC6A2SLC6A4SLC6A3KDM1AMAOA
SCHEMBL2359239 0.81 MAPT (0.56) SLC6A2SLC6A4SLC6A3KDM1AMAOA
SCHEMBL18700413 0.76 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3BACE1KDM1A

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-113185452-A Urea derivatives or pharmaceutically acceptable salts thereof 杏林制药株式会社 2021-07-30 CN disclosed
CN-107849049-B Urea derivatives or pharmaceutically acceptable salts thereof 杏林制药株式会社 2021-03-16 CN disclosed