SCHEMBL7043949

SCHEMBL7043949

CC(=O)c1ccc(C)c(OC(=O)C2c3ccccc3N(CC(=O)OS(=O)(=O)C(F)(F)F)c3ccccc32)c1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
AGTR1 P30556 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
SCHEMBL7049435 0.85 ALDH1A1 (0.35) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7051084 0.84 PKM (0.40) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7047676 0.84 MEN1 (0.38) ALDH1A1HPGDMEN1KMT2A
SCHEMBL7046746 0.83 MEN1 (0.34) ALDH1A1HPGDMEN1KMT2A
SCHEMBL7049410 0.83 MEN1 (0.34) ALDH1A1HPGDMEN1KMT2A
SCHEMBL7047551 0.82 PPARG (0.37) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7044723 0.81 CYP1A2 (0.36) ALDH1A1HPGDMEN1KMT2ACYP1A2
SCHEMBL7047832 0.81 MEN1 (0.36) ALDH1A1HPGDMEN1KMT2A
SCHEMBL7049801 0.80 MRGPRX4 (0.34) ALDH1A1HPGDMEN1KMT2A
SCHEMBL7047503 0.80 MEN1 (0.31) ALDH1A1HPGDMEN1KMT2A

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-0609885-B1 Acridinium compounds and conjugates thereof MOCHIDA PHARM CO LTD (JP) 2003-04-16 EP disclosed
US-5594112-A CHEMILUMINESCENCE LABEL MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
US-5438139-A Chemiluminescent; useful as immunolochemical, DNA probe and receptor bininding assays MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
EP-0609885-A1 Acridinium compounds and conjugates thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 EP disclosed