SCHEMBL20041825

SCHEMBL20041825

Cc1ccc(C2CO2)cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TSHR P16473 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL13898921 0.89 FFAR4 (0.49) TDP1MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL4370495 0.87 PDE4A (0.47) TDP1MAPTMAPK1L3MBTL1PDE4A
SCHEMBL10464043 0.80 S1PR5 (0.48) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8768747 0.80 MRGPRX4 (0.51) MAPTHTR2CHTR2BTSHRRXRA
SCHEMBL7146977 0.78 ELANE (0.47) ALDH1A1HTR2CHTR2BTSHRHTT
SCHEMBL9574268 0.77 FOLH1 (0.58) L3MBTL1ALDH1A1APP
SCHEMBL14095898 0.77 PDE4A (0.40) MAPTL3MBTL1ALDH1A1PDE4APDE4B
SCHEMBL13708416 0.76 PRMT5 (0.47) L3MBTL1ALDH1A1APPNPC1RAB9A
SCHEMBL14090696 0.76 CYP19A1 (0.46) MAPK1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL964386 0.76 PRMT5 (0.47) L3MBTL1ALDH1A1APPNPC1RAB9A

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
EP-2705031-B1 FLASH AND GLOW 1,2-DIOXETANES LIFE TECHNOLOGIES CORP (US) 2018-04-11 EP disclosed