SCHEMBL30744964

SCHEMBL30744964

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 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
SCHEMBL29966782 0.75 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL30436730 0.74 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL30950334 0.74 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL30745037 0.72 CYP4F2 (0.33) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL30744974 0.71 ALDH1A1 (0.31) ALDH1A1L3MBTL1NPSR1
SCHEMBL29165507 0.71
SCHEMBL905297 0.70 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL14216723 0.70 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL905296 0.70 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPSR1MAPT
SCHEMBL31178079 0.70 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPSR1MAPT

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed