SCHEMBL7045176

SCHEMBL7045176

Cc1c(O)c(C)c2c(c1O)CC(=O)C(c1ccc(N(C)C)cc1)O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL11120384 0.85 MAOA (0.34) MAPTALDH1A1
SCHEMBL11119917 0.82 LMNA (0.40) MAPTALDH1A1ALOX15RECQL
SCHEMBL1201689 0.81 KDM4E (0.40) ESR1ESR2MAPTGAAALDH1A1
SCHEMBL11121382 0.77 CDK1 (0.47) MAPTGAA
SCHEMBL1200431 0.76 PTPN1 (0.45) GAA
SCHEMBL10606553 0.74 AR (0.35) MAPTTSHR
SCHEMBL29085240 0.72 CYP19A1 (0.47) MAPTGAARECQL
SCHEMBL1200443 0.70 ESR1 (0.55) ESR1ESR2MAPTGAARECQL
SCHEMBL11259686 0.67 ESR1 (0.40) ESR1ESR2MAPTGAAALDH1A1
Hydrochloric Acid SCHEMBL11051998 0.66 ESR1 (0.39) ESR1ESR2MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294374-A1 FLAVONE/FLAVANONE DERIVATIVES FOR THE SYSTEMIC TREATMENT AND PROPHYLAXIS OF UV-INDUCED DERMATOSES Krutmann, Jean (DE) 2003-03-26 EP claimed
WO-2002000214-A1 FLAVONE/FLAVANONE DERIVATIVES FOR THE SYSTEMIC TREATMENT AND PROPHYLAXIS OF UV-INDUCED DERMATOSES KRUTMANN JEAN (DE) 2002-01-03 WO claimed
EP-1294374-A1 FLAVONE/FLAVANONE DERIVATIVES FOR THE SYSTEMIC TREATMENT AND PROPHYLAXIS OF UV-INDUCED DERMATOSES Krutmann, Jean (DE) 2003-03-26 EP disclosed
WO-2002000214-A1 FLAVONE/FLAVANONE DERIVATIVES FOR THE SYSTEMIC TREATMENT AND PROPHYLAXIS OF UV-INDUCED DERMATOSES KRUTMANN JEAN (DE) 2002-01-03 WO disclosed
US-4636569-A Pharmaceutical compositions containing compounds with a flavanone skeleton, process for the preparation of the said compound and novel compounds obtained INVERNI DELLA BEFFA S.P.A. (IT) 1987-01-13 US disclosed
EP-0122053-A2 Pharmaceutical compositions containing compounds with a flavanone skeleton and process for the preparation of said compounds INVERNI DELLA BEFFA S.P.A. (IT) 1984-10-17 EP disclosed