SCHEMBL23466367

SCHEMBL23466367

CCCC(CC)(CC)C(=O)OP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LPAR3 Q9UBY5 4/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
SMPD1 P17405 3/20 0.35
CA4 P22748 1/20 0.33
GGPS1 O95749 4/20 0.31

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
SCHEMBL527061 0.87 CA4 (0.39) FDPSCYP4F2CYP4A11LPAR3LPAR1
SCHEMBL5435947 0.76 LPAR2 (0.33) LPAR3LPAR2CA4
SCHEMBL26091845 0.74 FDPS (0.38) FDPSLPAR3LPAR1LPAR2SMPD1
SCHEMBL17617116 0.74 CYP4F2 (0.42) FDPSCYP4F2CYP4A11
SCHEMBL28579784 0.73 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL28723329 0.73 FDPS (0.36) FDPSSMPD1CA4
SCHEMBL7655070 0.72 PEPD (0.38) LPAR3LPAR1LPAR2SMPD1CA4
SCHEMBL2649989 0.72 CA4 (0.37) LPAR3LPAR1LPAR2SMPD1CA4
SCHEMBL9152058 0.72 CYP4F2 (0.66) CYP4F2CYP4A11
SCHEMBL27778445 0.72 CYP4F2 (0.41) CYP4F2CYP4A11

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-2021109791-A1 METHOD FOR SYNTHESIZING URSODEOXYCHOLIC ACID USING BA AS RAW MATERIAL 江苏佳尔科药业集团股份有限公司 2021-06-10 WO claimed