SCHEMBL1742227

SCHEMBL1742227

COc1ccc(-c2cc3ccc4ccccc4c3o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.73
CYP1B1 Q16678 7/20 0.73
ABCG2 Q9UNQ0 6/20 0.73
ABCC1 P33527 4/20 0.73
CYP1A2 P05177 3/20 0.73
ABCB1 P08183 2/20 0.73
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPT P10636 2/20 0.65
HPGD P15428 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
MAOB P27338 2/20 0.54
NPC1 O15118 1/20 0.54
TNKS O95271 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL4650874 0.85 CYP1A1 (1.00) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL11643109 0.83 MAOB (0.54) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL11646604 0.82 CYP1A1 (0.68) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL1740996 0.81 ABCG2 (0.71) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL11645931 0.80 CYP1A1 (0.71) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL11645031 0.80 CYP1A1 (0.53) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL11643021 0.80 MAOB (0.62) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL11645034 0.80 CYP1A1 (0.71) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL9550456 0.79 NTRK1 (0.56) CYP1A1CYP1B1ABCG2ABCC1CYP1A2
SCHEMBL28045622 0.79 KDM4E (1.00) CYP1A1CYP1B1ABCG2ABCC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388255-A1 Polysubstituted benzofurans and medicinal applications thereof Ikerchem, S.L. (ES) 2011-11-23 EP claimed
US-8038466-B1 Power receptacle with enlarged heat dissipation path formed on mating face and power connector assembly thereof ALLTOP ELECTRONICS (SUZHOU) CO., LTD (CN) 2011-10-18 US claimed
EP-2388255-A1 Polysubstituted benzofurans and medicinal applications thereof Ikerchem, S.L. (ES) 2011-11-23 EP disclosed
EP-2388255-A1 Polysubstituted benzofurans and medicinal applications thereof Ikerchem, S.L. (ES) 2011-11-23 EP disclosed
US-8038466-B1 Power receptacle with enlarged heat dissipation path formed on mating face and power connector assembly thereof ALLTOP ELECTRONICS (SUZHOU) CO., LTD (CN) 2011-10-18 US disclosed