SCHEMBL11249388

SCHEMBL11249388

O=C1Cc2cc(Br)ccc2OC1c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
METAP1 P53582 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 1/20 0.35
AR P10275 1/20 0.35
TDP2 O95551 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AHR P35869 2/20 0.33
CMA1 P23946 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
APP P05067 1/20 0.32
GLS O94925 1/20 0.32
POLB P06746 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31

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
SCHEMBL6711967 0.91 CYP19A1 (0.45) PBRM1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL8934500 0.80 CYP19A1 (0.46) CYP2C9CYP2C19CYP19A1SMN1; SMN2POLB
SCHEMBL6703209 0.79 CYP19A1 (0.42) PBRM1KMT2AMETAP1CYP2C9CYP2C19
SCHEMBL10536112 0.78 HRH4 (0.36) MEN1KMT2AMETAP1CYP19A1AR
SCHEMBL27639659 0.78 ESR2 (0.51) MEN1KMT2ACYP2C9CYP2C19CYP19A1
SCHEMBL10537709 0.75
SCHEMBL27543000 0.75 ESR2 (0.44) MEN1KMT2ACYP19A1AR
SCHEMBL27541883 0.74 ESR1 (0.43) CYP19A1AR
SCHEMBL10360821 0.73 MAOB (0.49) CYP19A1AR
SCHEMBL126600 0.73 AR (0.52) MEN1KMT2ACYP2C9CYP2C19CYP19A1

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
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