SCHEMBL11247779

SCHEMBL11247779

Cc1ccc2c(c1)CC(=O)C(c1ccccc1)O2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
CYP19A1 P11511 2/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
AR P10275 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL10360821 0.82 MAOB (0.49) MAOBCYP19A1ARSLC6A2SLC6A4
SCHEMBL6711967 0.82 CYP19A1 (0.45) MAOBCYP19A1GAAALDH1A1RAB9A
SCHEMBL6700954 0.82 CYP19A1 (0.45) MAOBCYP19A1ALDH1A1RAB9AKMT2A
SCHEMBL126600 0.82 AR (0.52) MAOBCYP19A1GAAALDH1A1RAB9A
SCHEMBL11049014 0.82 MAOB (0.49) MAOBCYP19A1ALDH1A1KMT2A
SCHEMBL10360799 0.82 AR (0.35) MAOBCYP19A1ALDH1A1RAB9ANPC1
SCHEMBL126193 0.82 ABCG2 (0.55) MAOBCYP19A1GAAALDH1A1RAB9A
SCHEMBL11245736 0.81 CYP19A1 (0.46) MAOBCYP19A1ALDH1A1ALDH2KMT2A
SCHEMBL19746 0.81 CYP19A1 (0.45) MAOBCYP19A1GAAALDH1A1RAB9A
SCHEMBL10360806 0.80 ALDH1A1 (0.51) MAOBGAAALDH1A1KMT2AAR

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
CN-100384855-C Poly-substituted flavan zothia dizoline kind compound and preparation process and use thereof UNIV ZHEJIANG (CN) 2008-04-30 CN disclosed
CN-1793148-A Poly-substituted flavan zothia dizoline kind compound and preparation process and use thereof UNIV ZHEJIANG (CN) 2006-06-28 CN disclosed
EP-0025161-B1 3-METHYLENE FLAVANONES AND 3-METHYLENE CHROMANONES, ANTIMICROBIAL COMPOSITION CONTAINING SAME AND METHOD OF INHIBITING THE GROWTH OF MICROORGANISMS MILES LABORATORIES, INC. (US) 1982-06-09 EP disclosed
EP-0025161-A1 3-Methylene flavanones and 3-methylene chromanones, antimicrobial composition containing same and method of inhibiting the growth of microorganisms MILES LABORATORIES, INC. (US) 1981-03-18 EP disclosed
US-4241069-A MICROBIOCIDES MILES LABORATORIES, INC. (US) 1980-12-23 US disclosed