SCHEMBL8432138

SCHEMBL8432138

CCOC(=O)C=C(C(=O)OCC)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.45
F2R P25116 1/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHODH Q02127 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
SCHEMBL15173968 0.85 F2R (0.49) NPSR1KMT2AMEN1TSHRF2R
SCHEMBL15173967 0.85 F2R (0.49) NPSR1KMT2AMEN1TSHRF2R
SCHEMBL4146557 0.82 TSHR (0.47) NPSR1KMT2AMEN1TSHRF2R
SCHEMBL27773826 0.82 TSHR (0.47) NPSR1KMT2AMEN1TSHRF2R
SCHEMBL29176075 0.82 TSHR (0.47) NPSR1KMT2AMEN1TSHRF2R
SCHEMBL9510890 0.82 TSHR (0.47) NPSR1KMT2AMEN1TSHRF2R
SCHEMBL28417090 0.81 TSHR (0.46) NPSR1KMT2AMEN1TSHRF2R
SCHEMBL4911670 0.78 MAPT (0.53) NPSR1KMT2AMEN1MAPTLMNA
SCHEMBL4911666 0.78 MAPT (0.53) NPSR1KMT2AMEN1MAPTLMNA
SCHEMBL7992908 0.78 MAPT (0.53) NPSR1KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942459-A ALUMOXANE-FREE MIXTURE OF TRANSITION METAL METALLOCENE, ORGANOALUMINUM COMPOUND, BORIC ACID-CONTAINING POWDER MITSUBISHI CHEMICAL CORPORATION (JP) 1999-08-24 US disclosed
EP-0728773-B1 Catalysts for olefin polymerization and a process for preparing olefin polymers therewith MITSUBISHI CHEM CORP (JP) 1998-11-04 EP disclosed
EP-0728773-A1 Catalysts for olefin polymerization and a process for preparing olefin polymers therewith MITSUBISHI CHEMICAL CORPORATION (JP) 1996-08-28 EP disclosed