SCHEMBL2554830

SCHEMBL2554830

C=C(Br)COc1ccc(OCC)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.46
ERN1 O75460 2/20 0.43
TUBB1 Q9H4B7 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL15332229 0.87 KDM4E (0.58) KDM4ERAB9APTGDR2ERN1TUBB1
SCHEMBL271557 0.83 LMNA (0.51) KDM4ERAB9AERN1TUBB1LMNA
SCHEMBL5883150 0.83 PTGDR2 (0.62) KDM4ERAB9APTGDR2ERN1TUBB1
SCHEMBL5882953 0.82 ALDH1A1 (0.60) KDM4ERAB9APTGDR2ERN1TUBB1
SCHEMBL2556226 0.81 PTGDR2 (0.49) KDM4ERAB9APTGDR2ERN1LMNA
SCHEMBL2556401 0.80 PTGDR2 (0.70) KDM4ERAB9APTGDR2ERN1ALDH1A1
SCHEMBL2560137 0.78 ERN1 (0.45) KDM4ERAB9AERN1LMNAALDH1A1
SCHEMBL15330205 0.78 PTGDR2 (0.49) KDM4EPTGDR2ERN1LMNAALDH1A1
SCHEMBL24765223 0.77 TUBB1 (0.64) KDM4ERAB9AERN1TUBB1LMNA
SCHEMBL29965788 0.77 TUBB1 (0.64) KDM4ERAB9AERN1TUBB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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