SCHEMBL8997394

SCHEMBL8997394

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.44
MMP2 P08253 5/20 0.44
MMP1 P03956 4/20 0.44
MMP3 P08254 4/20 0.44
MMP7 P09237 4/20 0.44
MMP9 P14780 4/20 0.44
MMP13 P45452 4/20 0.44
PTGS2 P35354 1/20 0.42
LDHA P00338 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALAD P13716 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
MMP14 P50281 1/20 0.41
FPR2 P25090 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCL1 Q07820 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL503470 0.94 LMNA (0.62) LMNAMAPK1LDHACYP1A2FPR2
SCHEMBL10170603 0.94 LMNA (0.62) LMNAMAPK1LDHACYP1A2FPR2
SCHEMBL323295 0.94 LMNA (0.62) LMNAMAPK1LDHACYP1A2FPR2
SCHEMBL29903941 0.94 LMNA (0.62) LMNAMAPK1LDHACYP1A2FPR2
SCHEMBL7564021 0.83 LMNA (0.74) LMNAMAPK1PTGS2CYP1A2
SCHEMBL8993579 0.83 LMNA (0.74) LMNAMAPK1PTGS2CYP1A2
SCHEMBL7564005 0.83 LMNA (0.74) LMNAMAPK1PTGS2CYP1A2
SCHEMBL275597 0.82 LMNA (0.79) LMNAMAPK1PTGS2BLMNPSR1
SCHEMBL8997286 0.81 LMNA (0.58) LMNAMAPK1MMP3PTGS2BLM
SCHEMBL14525901 0.80 CES2 (0.53) LMNAALDH1A1CYP1A2HAO1TSHR

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