SCHEMBL8189722

SCHEMBL8189722

COc1ccc(-c2c3nc(cc4ccc(cc5nc(c(-c6ccc(OC)c(O)c6)c6ccc2[nH]6)C=C5)[nH]4)C=C3)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49
▸ GAA P10253 2/20 0.44
▸ MGAM O43451 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ CYP1A1 P04798 1/20 0.41

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
SCHEMBL8189718 0.93 STAT3 (0.49) STAT3STAT1GAAMGAMSI
SCHEMBL8186763 0.88 ABCG2 (0.49) GAAMGAMSIMGAM2KDM4E
SCHEMBL5576182 0.87 STAT3 (0.51) STAT3STAT1GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8187553 0.86 ABCG2 (0.48) GAAMGAMSIMGAM2KDM4E
SCHEMBL2951397 0.86 STAT3 (0.54) STAT3STAT1GAAKDM4EMEN1
SCHEMBL9429844 0.84 STAT3 (0.52) STAT3STAT1GAAMGAMSI
SCHEMBL14350953 0.83 ABCG2 (0.48) GAAMGAMSIMGAM2KDM4E
SCHEMBL2950389 0.79 STAT3 (0.54) STAT3STAT1GAAKDM4EMEN1
SCHEMBL9590030 0.78 STAT3 (0.60) STAT3STAT1KDM4EALDH1A1MAPT
SCHEMBL4266558 0.78 STAT3 (0.63) STAT3STAT1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087493-A ENZYME IHIBITORS REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-11 — — US disclosed
EP-0988037-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-03-29 — — EP disclosed
WO-1998033503-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-08-06 — — WO disclosed
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