SCHEMBL7124523

SCHEMBL7124523

COc1ccc(-c2ccc(C)c(-c3cc(=O)oc4ccccc34)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.55
▸ HPGD P15428 6/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 6/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ MAOB P27338 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ TNKS O95271 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ KCNA5 P22460 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NLRP3 Q96P20 1/20 0.52
▸ NOD2 Q9HC29 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51

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
SCHEMBL13236780 0.85 NOD2 (0.68) ALDH1A1HPGDRAB9AMAPTKDM4E
SCHEMBL14424530 0.82 ALDH1A1 (0.58) ALDH1A1HPGDRAB9AMAPTKDM4E
SCHEMBL20420788 0.80 ALDH1A1 (0.61) ALDH1A1HPGDRAB9AMAPTKDM4E
SCHEMBL13769007 0.78 LMNA (0.59) ALDH1A1HPGDRAB9AMAPTMAOB
SCHEMBL20420786 0.78 ALDH1A1 (0.52) ALDH1A1HPGDRAB9AMAPTKDM4E
SCHEMBL30231784 0.76 KDM4E (0.67) ALDH1A1HPGDRAB9AMAPTKDM4E
SCHEMBL30228412 0.76 KCNA3 (0.62) ALDH1A1HPGDRAB9AKDM4EHSD17B10
SCHEMBL5691199 0.76 KCNA3 (0.62) ALDH1A1HPGDRAB9AKDM4EHSD17B10
SCHEMBL5396788 0.75 KCNA3 (0.62) ALDH1A1HPGDRAB9AMAPTKDM4E
SCHEMBL5396825 0.74 NQO1 (0.67) ALDH1A1HPGDRAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504327-A — — 2003-02-04 — — JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 — — EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 — — WO claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 — — EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 — — WO disclosed
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