SCHEMBL2554850

SCHEMBL2554850

CCOC(=O)C(C=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
MMP8 P22894 2/20 0.40
GAA P10253 2/20 0.38
PTGS2 P35354 1/20 0.38
TARBP2 Q15633 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1970294 0.86 MEN1 (0.44) MAPTKMT2ALMNANPSR1MEN1
SCHEMBL30558126 0.86 KMT2A (0.51) MAPTKMT2ALMNANPSR1MEN1
SCHEMBL11770256 0.85 ESR1 (0.49) MAPTKMT2ALMNAALDH1A1CYP1A2
SCHEMBL20930834 0.84 KMT2A (0.50) MAPTKMT2ALMNANPSR1MEN1
SCHEMBL3232287 0.83 CA12 (0.45) MAPTLMNANPSR1ALDH1A1HPGD
SCHEMBL27971666 0.83 MAPT (0.47) MAPTKMT2ALMNANPSR1MEN1
SCHEMBL1516027 0.83 MMP8 (0.53) MAPTKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL1970366 0.82 MEN1 (0.46) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL6669586 0.82 ALOX15 (0.47) MAPTKMT2ALMNANPSR1MEN1
SCHEMBL290761 0.81 ALDH1A1 (0.43) MAPTLMNANPSR1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
CN-101534829-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-06-17 CN disclosed
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN disclosed
CN-101528232-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-11-12 CN disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed