SCHEMBL8997409

SCHEMBL8997409

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
BCL2L1 Q07817 1/20 0.52
BAD Q92934 1/20 0.52
FFAR1 O14842 1/20 0.46
PTGS2 P35354 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41

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
SCHEMBL4632807 0.94 LMNA (0.62) LMNAMAPK1BCL2L1BADHDAC3
SCHEMBL196920 0.94 LMNA (0.62) LMNAMAPK1BCL2L1BADHDAC3
SCHEMBL196919 0.94 LMNA (0.62) LMNAMAPK1BCL2L1BADHDAC3
Fluoride SCHEMBL28879249 0.91 LMNA (0.60) LMNAMAPK1BCL2L1BADHDAC3
SCHEMBL7564021 0.83 LMNA (0.74) LMNAMAPK1FFAR1PTGS2CYP2C9
SCHEMBL7564005 0.83 LMNA (0.74) LMNAMAPK1FFAR1PTGS2CYP2C9
SCHEMBL8993579 0.83 LMNA (0.74) LMNAMAPK1FFAR1PTGS2CYP2C9
SCHEMBL275597 0.82 LMNA (0.79) LMNAMAPK1PTGS2PTPN1BLM
SCHEMBL8997286 0.81 LMNA (0.58) LMNAMAPK1BCL2L1PTGS2MMP3
SCHEMBL10786273 0.81 AKR1C3 (0.51) LMNAMAPK1PTGS2TSHRAPP

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