SCHEMBL27430592

SCHEMBL27430592

C=CCC1CC(=O)CC1(CC=C)CC=C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL27413486 0.81 GAA (0.36) GAAHPGDMAPK1ALDH1A1
SCHEMBL6407594 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL27509989 0.65 ALDH1A1 (0.32) GAAHPGDMAPK1ALDH1A1
SCHEMBL8524485 0.65 GAA (0.39) GAAHPGDMAPK1
SCHEMBL486158 0.64 GAA (0.45) GAAHPGDMAPK1
SCHEMBL6849291 0.63 GAA (0.35) GAAHPGDMAPK1ALDH1A1
SCHEMBL11883753 0.63 MEN1 (0.32) ALDH1A1
SCHEMBL11659434 0.63 GAA (0.32) GAAHPGDMAPK1
SCHEMBL28254165 0.63 GAA (0.32) GAAHPGDMAPK1ALDH1A1
SCHEMBL10688107 0.61 ALDH1A1 (0.39) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1257471-A Hydroxycyclopentanone TAKARA SHUZO CO (JP) 2000-06-21 — — CN claimed
CN-1129568-C Hydroxycyclopentanone TAKARA SHUZO CO (JP) 2003-12-03 — — CN disclosed
CN-1257471-A Hydroxycyclopentanone TAKARA SHUZO CO (JP) 2000-06-21 — — CN disclosed
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