SCHEMBL11259686

SCHEMBL11259686

CN(C)c1ccc(C2Oc3ccccc3CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 4/20 0.36
PDGFRB P09619 1/20 0.36
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
ELANE P08246 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
MIF P14174 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
Hydrochloric Acid SCHEMBL11051998 0.99 ESR1 (0.39) ESR1ESR2MAOBMAOAMAPT
SCHEMBL11049014 0.84 MAOB (0.49) MAOBMAOAALDH1A1TSHR
SCHEMBL19746 0.83 CYP19A1 (0.45) MAOBMAOAMAPTGAAALDH1A1
SCHEMBL11733122 0.82 CYP19A1 (0.44) MAOBMAOAMAPTGAAALDH1A1
Methane SCHEMBL27973705 0.82 CYP19A1 (0.44) MAOBMAOAMAPTGAAALDH1A1
SCHEMBL2283832 0.81 CYP3A4 (0.49) ESR1ESR2MAOBMAOAMAPT
Methoxymethane SCHEMBL27610365 0.81 KDM4E (0.42) MAOBMAOAMAPTGAAALDH1A1
SCHEMBL2474551 0.81 MAOB (0.49) MAOBMAOAKDM4E
SCHEMBL10381296 0.81 POLB (0.42) MAOBMAOAMAPTGAAALDH1A1
SCHEMBL127705 0.80 MAPT (0.52) MAOBMAOAMAPTTP53TSHR

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