SCHEMBL10632007

SCHEMBL10632007

COc1cccc(-c2cc(=O)c3cc(C(=O)O)ccc3o2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.72
MAPT P10636 5/20 0.72
CYP3A4 P08684 4/20 0.72
MAPK1 P28482 3/20 0.72
TP53 P04637 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
CYP2C9 P11712 2/20 0.72
TSHR P16473 2/20 0.72
CYP2C19 P33261 2/20 0.72
ALDH1A1 P00352 4/20 0.65
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HSD17B10 Q99714 2/20 0.65
RECQL P46063 2/20 0.65
ABCB1 P08183 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.65
USP2 O75604 1/20 0.65
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57

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
SCHEMBL31238422 0.88 TNKS (0.56) KDM4EMAPTCYP3A4MAPK1TP53
6,3'-Dimethoxyflavone SCHEMBL516389 0.86 KDM4E (0.82) KDM4EMAPTCYP3A4MAPK1TP53
6,3'-Dimethoxyflavone SCHEMBL30894690 0.86 KDM4E (0.82) KDM4EMAPTCYP3A4MAPK1TP53
SCHEMBL10632120 0.85 SIGMAR1 (0.56) KDM4EMAPTCYP3A4MAPK1TP53
SCHEMBL31675975 0.84 MAPT (1.00) KDM4EMAPTCYP3A4MAPK1TP53
SCHEMBL4649870 0.84 MAPT (1.00) KDM4EMAPTCYP3A4MAPK1TP53
SCHEMBL977613 0.84 HDAC3 (0.62) KDM4EMAPTCYP3A4MAPK1TP53
SCHEMBL8934603 0.84 MAPT (0.78) KDM4EMAPTCYP3A4MAPK1TP53
SCHEMBL1177191 0.83 TNKS (0.74) KDM4EMAPTCYP3A4TP53ALDH1A1
SCHEMBL10629928 0.83 MAPT (0.75) KDM4EMAPTCYP3A4MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4791136-A ANTIHYPOXIC AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US claimed
US-4626431-A 3*-HYDROXY-OR ALKOXYFLAVONE-6-CARBOXYLIC ACID BURROUGHS WELLCOME CO. (US) 1986-12-02 US claimed
EP-0142303-A2 Pharmacologically active benzo - and dibenzo - pyrones and use THE WELLCOME FOUNDATION LIMITED (GB) 1985-05-22 EP claimed
US-4791136-A ANTIHYPOXIC AGENTS BURROUGHS WELLCOME CO. (US) 1988-12-13 US disclosed
US-4626431-A 3*-HYDROXY-OR ALKOXYFLAVONE-6-CARBOXYLIC ACID BURROUGHS WELLCOME CO. (US) 1986-12-02 US disclosed
EP-0142303-A2 Pharmacologically active benzo - and dibenzo - pyrones and use THE WELLCOME FOUNDATION LIMITED (GB) 1985-05-22 EP disclosed