SCHEMBL7697390

SCHEMBL7697390

C=CCC1(c2ccccc2)OCOC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EGFR P00533 2/20 0.35
PGR P06401 1/20 0.32
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CFTR P13569 1/20 0.30
GOPC Q9HD26 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
DRD2 P14416 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL13326236 0.69 CFTR (0.41) MEN1ALDH1A1KMT2ACYP2C9EGFR
SCHEMBL83598 0.67 EGFR (0.41) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL24565312 0.67 EGFR (0.49) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL22323612 0.67 EGFR (0.49) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL7694529 0.67 LMNA (0.31) LMNAGAA
Water SCHEMBL6436020 0.66 EGFR (0.40) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL822450 0.65 LMNA (0.42) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL3613976 0.65 GAA (0.37) LMNAGAAMEN1ALDH1A1POLB
SCHEMBL25366744 0.65 LMNA (0.36) LMNAGAAALDH1A1CYP2C9CYP2C19
SCHEMBL25366741 0.65 LMNA (0.36) LMNAGAAALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127043-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS Sepracor Inc. (US) 2001-08-29 EP claimed
WO-2000027786-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS SEPRACOR INC. (US) 2000-05-18 WO claimed
US-6376684-B1 CHEMICAL INTERMEDIATE FOR OXYBUTYNIN-TYPE COMPOUNDS SEPRACOR INC. 2002-04-23 US disclosed
EP-1127043-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS Sepracor Inc. (US) 2001-08-29 EP disclosed
US-6180823-B1 CONDENSING SUBSTITUTED ACETALDEHYDE WITH ENANTIOMER OF MANDELIC ACID TO PROVIDE 5-PHENYL-1,3-DIOXOLAN-4-ONE, CONDENSING WITH CYCLOHEXANONE, DEHYDRATING PRODUCT, HYDROLYZING, REDUCING TO ALPHA-CYCLOHEXYLPHENYLGLYCOLIC ACID SEPRACOR INC. 2001-01-30 US disclosed
WO-2000027786-A1 STEREOSELECTIVE PROCESS FOR PREPARING (CYCLO)ALKYL PHENYLGLYCOLIC ACIDS SEPRACOR INC. (US) 2000-05-18 WO disclosed