SCHEMBL4691601

SCHEMBL4691601

COc1ccc(OC(=O)/C=C/c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
MEN1 O00255 3/20 0.69
MAPT P10636 3/20 0.69
MAOB P27338 3/20 0.69
ALDH1A1 P00352 2/20 0.69
HSPD1 P10809 1/20 0.69
TNFRSF1A P19438 1/20 0.69
HSPE1 P61604 1/20 0.69
CYP1B1 Q16678 1/20 0.69
BCHE P06276 1/20 0.64
CYP3A4 P08684 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
THRB P10828 1/20 0.64
ATM Q13315 1/20 0.64
KDM4E B2RXH2 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
EGFR P00533 1/20 0.63
MMP1 P03956 1/20 0.63

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
SCHEMBL4691603 1.00 KMT2A (0.71) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL7694732 0.95 KMT2A (0.69) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL7694734 0.95 KMT2A (0.69) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL28993133 0.92 MAOB (0.63) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL18121572 0.91 KMT2A (0.76) KMT2AMEN1MAPTMAOBBCHE
SCHEMBL16982630 0.91 KMT2A (0.83) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL23097438 0.91 KMT2A (0.63) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL2313379 0.91 KMT2A (0.63) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL2313377 0.91 KMT2A (0.63) KMT2AMEN1MAPTMAOBALDH1A1
SCHEMBL28105145 0.88 KMT2A (0.67) KMT2AMEN1MAPTMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023202-A Synthetic method of alpha-chlorarone derivative 西南大学 2023-04-28 CN claimed
CN-116023202-A Synthetic method of alpha-chlorarone derivative 西南大学 2023-04-28 CN disclosed
EP-3792334-B1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2022-01-19 EP disclosed
US-8754179-B2 Light activated shape memory co-polymers CORNERSTONE RESEARCH GROUP, INC. (US) 2014-06-17 US disclosed
US-20080021166-A1 Light Activated Shape Memory Co-Polymers GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2008-01-24 US disclosed
EP-1799771-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-06-27 EP disclosed
WO-2007001407-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-01-04 WO disclosed