SCHEMBL21686451

SCHEMBL21686451

CC(C)c1c(O)cc(O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
TRPM4 Q8TD43 1/20 0.45
IDO1 P14902 5/20 0.44
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
EP300 Q09472 2/20 0.40
NQO2 P16083 1/20 0.39
THRB P10828 1/20 0.38
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL27728334 0.83 GABRA1 (0.48) AHRHTTLMNATRPM4IDO1
SCHEMBL4192822 0.77 IDO1 (0.48) HTTLMNAIDO1GABRA1GABRB2
SCHEMBL29053723 0.75 KIF11 (0.41) AHRLMNAIDO1GABRA1GABRB2
SCHEMBL11233768 0.75 TRPM4 (0.52) AHRTRPM4GABRA1GABRB2KDM4E
SCHEMBL8090751 0.74 TRPM4 (0.50) AHRHTTLMNATRPM4GABRA1
SCHEMBL5377840 0.74 HTT (0.39) HTTLMNATRPM4IDO1KDM4E
SCHEMBL1070380 0.73 KIF11 (0.40) AHRLMNAGABRA1GABRB2KDM4E
SCHEMBL13773185 0.72 LMNA (0.55) HTTLMNATRPM4IDO1GABRA1
SCHEMBL682421 0.72 KMT2A (0.55) LMNAKDM4EMAPTMEN1POLB
SCHEMBL29700526 0.72 LMNA (0.55) HTTLMNATRPM4IDO1GABRA1

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-3362518-B1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS THE UWM RES FOUNDATION INC (US) 2022-04-27 EP disclosed
US-11275071-B2 Sensor dyes for real-time sensing of metal ions in aqueous environments UWM RESEARCH FOUNDATION, INC. (US) 2022-03-15 US disclosed
US-20200033314-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS ADVANCED CHEMICAL SYSTEMS, INC. 2020-01-30 US disclosed