SCHEMBL16401202

SCHEMBL16401202

COC(=O)Cc1ccc(CNC(CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MEP1B Q16820 2/20 0.44
HPGD P15428 1/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.43
FOLH1 Q04609 9/20 0.42
SLC7A5 Q01650 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL31229321 0.84 FFAR1 (0.53) MEP1B
Hydrochloric Acid SCHEMBL27792421 0.83 FFAR1 (0.52) MEP1B
SCHEMBL8612645 0.82 FFAR1 (0.50) MEP1BNAALAD2FOLH1
SCHEMBL3387298 0.81 NAALAD2 (0.60) MEP1BNAALAD2FOLH1MAPT
SCHEMBL869873 0.81 NAALAD2 (0.60) MEP1BNAALAD2FOLH1MAPT
SCHEMBL1818651 0.81 NAALAD2 (0.60) MEP1BNAALAD2FOLH1MAPT
SCHEMBL5577139 0.80 MEP1B (0.48) MEP1BNAALAD2FOLH1
SCHEMBL5577137 0.80 MEP1B (0.48) MEP1BNAALAD2FOLH1
SCHEMBL6566486 0.80 FOLH1 (0.61) MEP1BNAALAD2FOLH1LMNA
SCHEMBL29788283 0.77 ALDH1A1 (0.50) MEP1BNAALAD2FOLH1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021879-A2 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH Cayman Chemical Company, Incorporated (US) 2016-05-25 EP disclosed
WO-2015009991-A2 METHODS, SYSTEMS, AND COMPOSITIONS FOR PROMOTING BONE GROWTH CAYMAN CHEMICAL COMPANY, INC. (US) 2015-01-22 WO disclosed