SCHEMBL5599587

SCHEMBL5599587

COc1cc(C(=O)C=Cc2ccccc2O)ccc1OCC=C(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
PTGES O14684 2/20 0.54
ABCB1 P08183 2/20 0.54
TNFRSF1A P19438 1/20 0.52
ALOX5 P09917 3/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
DPP4 P27487 1/20 0.49
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL5599785 0.91 ABCG2 (0.59) PTPN1ABCG2PTGESABCB1TNFRSF1A
SCHEMBL4620096 0.86 ABCG2 (0.74) ABCG2ABCB1TNFRSF1AMAOAMAOB
SCHEMBL30428796 0.86 ABCG2 (0.74) ABCG2ABCB1TNFRSF1AMAOAMAOB
SCHEMBL4620101 0.86 ABCG2 (0.74) ABCG2ABCB1TNFRSF1AMAOAMAOB
SCHEMBL5599401 0.84 DPP4 (0.67) ABCG2ABCB1TNFRSF1AMAOAMAOB
SCHEMBL14606162 0.78 MAOB (0.74) ABCG2PTGESALOX5MAOAMAOB
SCHEMBL16692664 0.76 TSHR (0.66) PTGES
SCHEMBL9368102 0.75 MAPT (0.63) PTPN1ALOX5MAOBNR1H4
SCHEMBL9368112 0.75 MAPT (0.63) PTPN1ALOX5MAOBNR1H4
SCHEMBL18010157 0.75 PTGES (0.62) PTGESALOX5

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-1764363-A2 SUBSTITUTED ACETOPHENONEDERIVATIVES Riemser Arzneimittel AG (DE) 2007-03-21 EP claimed
EP-1764363-A2 SUBSTITUTED ACETOPHENONEDERIVATIVES Riemser Arzneimittel AG (DE) 2007-03-21 EP disclosed