SCHEMBL8997384

SCHEMBL8997384

O=C(O)C(O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
MAPK1 P28482 1/20 0.56
FFAR1 O14842 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGS2 P35354 1/20 0.42
BRD4 O60885 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GABBR2 O75899 3/20 0.42
GABBR1 Q9UBS5 3/20 0.42
ALAD P13716 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL2163167 0.94 LMNA (0.62) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL6367 0.94 LMNA (0.62) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL6366 0.94 LMNA (0.62) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL29903923 0.94 LMNA (0.62) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL11652701 0.91 LMNA (0.60) LMNAMAPK1CYP1A2CYP2C9CYP2C19
Chlorobenzene SCHEMBL8754828 0.88 LMNA (0.68) LMNAMAPK1CYP2C9CYP2C19MEN1
SCHEMBL7566668 0.86 LMNA (0.54) LMNAMAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL7564005 0.83 LMNA (0.74) LMNAMAPK1FFAR1CYP1A2CYP2C9
SCHEMBL8993579 0.83 LMNA (0.74) LMNAMAPK1FFAR1CYP1A2CYP2C9
SCHEMBL7564021 0.83 LMNA (0.74) LMNAMAPK1FFAR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459455-B1 Process for producing optically active alpha-hydroxyesters CHISSO CORP (JP) 1996-09-04 EP disclosed
US-5248610-A Transesterification CHISSO CORPORATION (JP) 1993-09-28 US disclosed
EP-0459455-A2 Process for producing optically active alpha-hydroxyesters CHISSO CORPORATION (JP) 1991-12-04 EP disclosed
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 US disclosed