SCHEMBL9530950

SCHEMBL9530950

COc1cc(C(=O)CC(=O)c2ccccc2O)cc(OC)c1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.75
MEN1 O00255 6/20 0.75
MAPT P10636 6/20 0.75
ALDH1A1 P00352 5/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
GAA P10253 1/20 0.75
NPC1 O15118 6/20 0.63
IDO1 P14902 1/20 0.57
TDO2 P48775 1/20 0.57
LMNA P02545 3/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 3/20 0.53
ALOX12 P18054 3/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 2/20 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
SCHEMBL7368151 0.88 ALDH1A1 (0.62) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL29149105 0.87 KMT2A (0.73) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL29149100 0.85 KMT2A (0.70) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL5320644 0.84 MEN1 (0.54) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL31556010 0.83 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL7046987 0.83 ALDH1A1 (0.72) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL7131385 0.82 IDO1 (0.75) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL31555998 0.80 KMT2A (0.74) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL12387924 0.80 KDM4E (0.63) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL7468407 0.79 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290915-B1 FLAVONE-3-CARBOXYLIC-ACID COMPOUNDS, AND PROCESS, INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Kali-Chemie Pharma GmbH (DE) 1993-07-14 EP disclosed
US-5013852-A Antiinflammatory KALI-CHEMIE PHARMA GMBH (DE) 1991-05-07 US disclosed
US-4886806-A ANTIINFLAMMATORY AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1989-12-12 US disclosed
EP-0290915-A2 Flavone-3-carboxylic-acid compounds, and process, intermediates for their preparation and medicines containing these compounds Kali-Chemie Pharma GmbH (DE) 1988-11-17 EP disclosed