SCHEMBL29344902

SCHEMBL29344902

C=C(OCC)c1ccc(C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38

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
SCHEMBL14456161 0.85 CA1 (0.47) SMN1; SMN2ALDH1A1KDM4ECA12CA1
SCHEMBL16638890 0.79 PRSS1 (0.47) PRSS1PRSS2PRSS3SMN1; SMN2HTT
SCHEMBL13500364 0.79 CA1 (0.36) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL18703780 0.78 KDM4E (0.48) SMN1; SMN2ALDH1A1KDM4ECA12CA1
SCHEMBL2630547 0.77 GAA (0.46) SMN1; SMN2HTTCES2CES1ALDH1A1
SCHEMBL5306606 0.77 S1PR1 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL31194402 0.76 CA12 (0.65) SMN1; SMN2HTTALDH1A1NPC1RAB9A
SCHEMBL571193 0.76 CA12 (0.65) SMN1; SMN2HTTALDH1A1NPC1RAB9A
SCHEMBL482663 0.76 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL14683986 0.76 PLK1 (0.43) SMN1; SMN2HTTALDH1A1NPC1RAB9A

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
WO-2024150815-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR 田辺三菱製薬株式会社 2024-07-18 WO disclosed