SCHEMBL8745776

SCHEMBL8745776

COc1cc2oc(=O)c(CCO)c(C)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.59
POLB P06746 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A2 O94788 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALDH2 P05091 2/20 0.49
ALDH1B1 P30837 2/20 0.49
ALDH1A3 P47895 2/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B3 P37058 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL8745814 0.92 NQO1 (0.52) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745815 0.91 NQO1 (0.51) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745806 0.91 NQO1 (0.52) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL9144825 0.90 NQO1 (0.50) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745793 0.86 NQO1 (0.56) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL9080519 0.82 NQO1 (0.58) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745753 0.81 NQO1 (0.61) NQO1POLBMAPTALDH1A1KDM4E
SCHEMBL8745784 0.80 NQO1 (0.50) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8810178 0.80 HSD17B3 (0.53) NQO1POLBMAPTALDH1A2ALDH1A1
SCHEMBL8745785 0.80 NQO1 (0.52) NQO1POLBMAPTALDH1A2ALDH1A1

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-0663911-B1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE SCHWABE WILLMAR GMBH & CO (DE) 1997-02-05 EP disclosed
US-5550129-A THERAPY FOR NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS WILLMAR SCHWABE GMBH & CO. (DE) 1996-08-27 US disclosed
EP-0663911-A1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE. SCHWABE WILLMAR GMBH & CO (DE) 1995-07-26 EP disclosed
WO-1994008985-A1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE DR. WILLMAR SCHWABE GMBH & CO. (DE) 1994-04-28 WO disclosed