SCHEMBL30723822

SCHEMBL30723822

CCOC(=O)/C=C(C)/C=C/c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.56
JUN P05412 1/20 0.56
MAOB P27338 4/20 0.54
BCHE P06276 1/20 0.53
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
MAOA P21397 2/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1B1 Q16678 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
HCRTR1 O43613 1/20 0.50
NR1H4 Q96RI1 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL1210329 0.88 MAOB (0.60) FOSJUNMAOBBCHEKDM4E
SCHEMBL1210331 0.88 MAOB (0.60) FOSJUNMAOBBCHEKDM4E
SCHEMBL29421074 0.88 MAOB (0.60) FOSJUNMAOBBCHEKDM4E
SCHEMBL10771831 0.84 L3MBTL1 (0.56) MAOBKDM4ESMN1; SMN2MAOAMAPT
SCHEMBL10771830 0.84 L3MBTL1 (0.56) MAOBKDM4ESMN1; SMN2MAOAMAPT
SCHEMBL10394709 0.82 KMT2A (0.59) MAOBKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10394710 0.82 KMT2A (0.59) MAOBKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL15164723 0.82 KMT2A (0.59) MAOBKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1206933 0.82 MAOB (0.52) FOSJUNMAOBBCHEKDM4E
SCHEMBL1206934 0.82 MAOB (0.52) FOSJUNMAOBBCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed