SCHEMBL7747870

SCHEMBL7747870

CCCCCC(=O)O[C@H]1CCOC1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PRKCA P17252 5/20 0.47

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
SCHEMBL7747626 1.00 NAAA (0.50) NAAACYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL7746333 1.00 NAAA (0.50) NAAACYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL7742205 0.98 NAAA (0.53) NAAAPRKCA
SCHEMBL7747759 0.98 NAAA (0.53) NAAAPRKCA
SCHEMBL7746325 0.98 NAAA (0.53) NAAAPRKCA
SCHEMBL7746826 0.98 NAAA (0.53) NAAAPRKCA
SCHEMBL7742219 0.98 NAAA (0.53) NAAAPRKCA
SCHEMBL7742209 0.98 NAAA (0.53) NAAAPRKCA
SCHEMBL7746335 0.98 NAAA (0.53) NAAAPRKCA
SCHEMBL7747595 0.98 NAAA (0.53) NAAAPRKCA

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-2001018231-A2 METHOD FOR PRODUCING (R) OR (S)-HYDROXY-η-BUTYROLACTONE LONZA AG (CH) 2001-03-15 WO disclosed