SCHEMBL11575282

SCHEMBL11575282

CCOCC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCAT2 O15382 1/20 0.49
SCN1A P35498 4/20 0.48
SCN2A Q99250 4/20 0.48
SCN3A Q9NY46 4/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30505632 0.80 BCAT2 (0.57) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL3420505 0.80 BCAT2 (0.57) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL4529398 0.80 LMNA (0.50) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL27539512 0.79 BCAT2 (0.55) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL28261473 0.78 LMNA (0.58) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL3630027 0.77 SMN1; SMN2 (0.58) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL4529250 0.76 BCAT2 (0.61) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL396552 0.76 TSHR (0.69) LMNAMEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL333676 0.75 HCRTR1 (0.57) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29350014 0.75 HCRTR1 (0.57) LMNAMEN1KMT2ASMN1; SMN2KDM4E

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
US-4140604-A BY REACTION OF HYDROGEN SULFIDE AND UNSATURATED COMPOUND IN PRESENCE OF ULTRAVIOLET LIGHT AND ACETOPHENONE DERIVATIVE PROMOTER PENNWALT CORPORATION (US) 1979-02-20 US disclosed