SCHEMBL7418565

SCHEMBL7418565

CC(=O)OCN1C(C)=C(C(=O)O)C(C)(c2cccc(Cl)c2Cl)C(C(=O)O)=C1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
ABCB11 O95342 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL7424308 0.89 ALDH1A1 (0.38) CYP2C9LMNAALDH1A1TSHRKDM4E
SCHEMBL4884972 0.87 ABCB11 (0.42) CYP2C9LMNAALDH1A1TSHRKDM4E
SCHEMBL2365028 0.84 TSHR (0.37) CYP2C9LMNAALDH1A1TSHRKDM4E
SCHEMBL3393583 0.80 TSHR (0.40) CYP2C9LMNAALDH1A1TSHRKDM4E
SCHEMBL4758577 0.71 TSHR (0.36) CYP2C9LMNAALDH1A1TSHRKDM4E
SCHEMBL9033489 0.69 CYP2C9 (0.31) CYP2C9LMNAALDH1A1TSHRKDM4E
SCHEMBL4758043 0.69 CRHBP (0.40) CYP2C9LMNAALDH1A1KDM4EMEN1
SCHEMBL9101372 0.67 TSHR (0.37) CYP2C9LMNAALDH1A1TSHRKDM4E
SCHEMBL30516327 0.66 PYGL (0.34) ABCB11ABCB1ADORA3ADRB3TBXA2R
SCHEMBL30656597 0.65 HTR1A (0.39) CYP3A4ABCB11NR1I2ABCB1ADORA3

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-0727997-A1 PHARMACEUTICAL EMULSION Astra Aktiebolag (SE) 1996-08-28 EP claimed
WO-1995013066-A1 PHARMACEUTICAL EMULSION ASTRA AKTIEBOLAG (SE) 1995-05-18 WO claimed
EP-0727997-A1 PHARMACEUTICAL EMULSION Astra Aktiebolag (SE) 1996-08-28 EP disclosed
WO-1995013066-A1 PHARMACEUTICAL EMULSION ASTRA AKTIEBOLAG (SE) 1995-05-18 WO disclosed