SCHEMBL11289616

SCHEMBL11289616

O=C1c2cccc(O)c2C(=O)c2c(O)c3c(c(O)c21)CC(O)CC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
MAOB P27338 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.50
STAT3 P40763 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
ELANE P08246 6/20 0.43
CTSG P08311 5/20 0.43

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
SCHEMBL11291057 0.87 MAPT (0.44) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL31745135 0.87 MAPT (0.44) MAOAMAPTALDH1A1TDP1MAPK1
SCHEMBL25442154 0.85 STAT3 (0.52) MAOAMAPTALDH1A1TSHRTDP1
SCHEMBL13472029 0.84 MAOA (0.49) MAOAMAPTALDH1A1TSHRTDP1
SCHEMBL14537729 0.84 EGFR (0.54) MAPTALDH1A1SMN1; SMN2ELANECTSG
SCHEMBL567474 0.84 EGFR (0.54) MAPTALDH1A1SMN1; SMN2ELANECTSG
SCHEMBL11430163 0.83 MAOA (0.47) MAOAMAPTALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL7460 0.83 EGFR (0.53) MAPTALDH1A1TSHRMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL29658548 0.83 EGFR (0.53) MAPTALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL11424649 0.82 MAOA (0.46) MAOAMAPTALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007403-B1 5,12-DIHYDROXY-1,2,3,4,6,11-HEXAHYDRO-2,6,11-TRIOXONAPHTHACENES AND THEIR SYNTHESIS THE UNIVERSITY OF KANSAS (US) 1982-11-24 EP claimed
US-4244880-A Anthracycline synthesis UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1981-01-13 US claimed
US-4215062-A Anthracycline synthesis UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1980-07-29 US claimed
EP-0007403-A1 5,12-dihydroxy-1,2,3,4,6,11-hexahydro-2,6,11-trioxonaphthacenes and their synthesis THE UNIVERSITY OF KANSAS (US) 1980-02-06 EP claimed
EP-0007403-B1 5,12-DIHYDROXY-1,2,3,4,6,11-HEXAHYDRO-2,6,11-TRIOXONAPHTHACENES AND THEIR SYNTHESIS THE UNIVERSITY OF KANSAS (US) 1982-11-24 EP disclosed
US-4244880-A Anthracycline synthesis UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1981-01-13 US disclosed
US-4215062-A Anthracycline synthesis UNIVERSITY OF KANSAS ENDOWMENT ASSOCIATION (US) 1980-07-29 US disclosed
EP-0007403-A1 5,12-dihydroxy-1,2,3,4,6,11-hexahydro-2,6,11-trioxonaphthacenes and their synthesis THE UNIVERSITY OF KANSAS (US) 1980-02-06 EP disclosed