SCHEMBL30950334

SCHEMBL30950334

COC(=O)C12CCC(CC1)CC2C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL15440894 0.90 ALDH1A1 (0.34) ALDH1A1L3MBTL1SLC1A2SLC1A1NPSR1
SCHEMBL5318288 0.90 ALDH1A1 (0.34) ALDH1A1L3MBTL1SLC1A2SLC1A1NPSR1
SCHEMBL30436730 0.86 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL28915596 0.81 BTK (0.38)
SCHEMBL4280912 0.79 GRM4 (0.35) ALDH1A1SLC1A2SLC1A1SLC6A4
SCHEMBL29966782 0.76 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL11301100 0.76 L3MBTL1 (0.34) ALDH1A1L3MBTL1NPSR1
SCHEMBL3679801 0.76 L3MBTL1 (0.34) ALDH1A1L3MBTL1NPSR1
SCHEMBL31090830 0.76
SCHEMBL676616 0.75 GRM2 (0.31) SLC6A4

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
CN-118206467-A Alkyl azide chiral allyl ester compound and preparation method thereof 武汉光化学技术研究院 2024-06-18 CN disclosed