SCHEMBL10900697

SCHEMBL10900697

COc1cccc(Oc2cccc(OC)c2OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA4 P22748 1/20 0.52
NFE2L2 Q16236 5/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL31666382 1.00 SMN1; SMN2 (0.54) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL25434306 0.92 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL151213 0.92 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL27753904 0.92 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL27731704 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA7
Bromide SCHEMBL28158222 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA7
Ammonia Solution, Strong SCHEMBL4268652 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL31658961 0.89 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL8592328 0.87 AR (0.50) SMN1; SMN2CA12CA1CA2CA7
Bromide SCHEMBL1307432 0.86 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA1CA2CA7

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
CN-103393618-A Pharmaceutical composition comprising 11-deoxy-prostaglandin compound and method for stabilizing same R TECH UENO LTD 2013-11-20 CN disclosed
US-4599423-A Preparation of 5-(hydroxy- and/or aminophenyl-6-lower-alkyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1986-07-08 US disclosed
US-4465686-A 5-(Hydroxy- and/or amino-phenyl)-6-(lower-alkyl)-2-(1H)-pyridinones, their cardiotonic use and preparation STERLING DRUG INC. (US) 1984-08-14 US disclosed
US-3960720-A Gel product for separation purposes and method of using the product for hydrophobic salting out adsorption EXPLOATERINGS AKTIEBOLAGET T.B.F. (SW) 1976-06-01 US disclosed