SCHEMBL29013164

SCHEMBL29013164

COc1cc(N2CCC(C(=O)O)CC2)ccc1-c1ccc(OCc2ccccc2)nc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.43
TLR9 Q9NR96 2/20 0.42
S1PR1 P21453 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
PDK2 Q15119 1/20 0.40
CHRM4 P08173 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 2/20 0.40
TLR7 Q9NYK1 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
LRRK2 Q5S007 2/20 0.39
NEK2 P51955 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL25940158 0.91 PDK2 (0.47) PDK2SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL30479039 0.91 PDK2 (0.47) PDK2SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL30066370 0.88 LRRK2 (0.46) ALKTLR9CHRM2CHRM1CHRM4
SCHEMBL24670613 0.88 LRRK2 (0.46) ALKTLR9CHRM2CHRM1CHRM4
SCHEMBL29013163 0.85 SMN1; SMN2 (0.44) S1PR1NPC1RAB9ACYP4F2CYP4A11
SCHEMBL29013203 0.84 NEK2 (0.43) NPC1RAB9ASMN1; SMN2GPR84NEK2
SCHEMBL25935365 0.83 PDK2 (0.48) PDK2SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL27039573 0.82 TLR9 (0.52) ALKTLR9PDK2TLR7
SCHEMBL29179826 0.81 CYP4F2 (0.38) TLR9S1PR1NPC1RAB9ACYP4F2
SCHEMBL25192126 0.80 S1PR1 (0.40) S1PR1NPC1RAB9ACYP4F2CYP4A11

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-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed