SCHEMBL7591699

SCHEMBL7591699

CC(C)C1OC(=O)CC1(O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17300318 0.65 HMGCR (0.32)
SCHEMBL7591600 0.64 PRKCA (0.36) LMNACYP2C9
SCHEMBL19229720 0.63
SCHEMBL10883048 0.62 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL22950788 0.60 AKR1B1 (0.44)
SCHEMBL1106721 0.59 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL6256448 0.59 CA2 (0.38) LMNACYP2C9SMN1; SMN2
SCHEMBL11649177 0.58 SMN1; SMN2 (0.44) LMNACYP2C9SMN1; SMN2
SCHEMBL6263831 0.58 LMNA (0.44) LMNACYP2C9SMN1; SMN2
SCHEMBL24840437 0.58

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-1246811-A1 METHODS FOR RESOLVING RACEMIC MIXTURES OF 5-SUBSTITUTED 4-HYDROXY-2-FURANONES OXIS Isle of Man, Limited (GB) 2002-10-09 EP disclosed
WO-2001049671-A1 METHODS FOR RESOLVING RACEMIC MIXTURES OF 5-SUBSTITUTED 4-HYDROXY-2-FURANONES OXIS ISLE OF MAN, LIMITED (US) 2001-07-12 WO disclosed