SCHEMBL20213682

SCHEMBL20213682

CC=CC(C)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
HSD17B10 Q99714 6/20 0.60
CYP3A4 P08684 5/20 0.60
ALOX12 P18054 4/20 0.60
TSHR P16473 4/20 0.60
TDP1 Q9NUW8 4/20 0.60
ALOX15 P16050 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
LMNA P02545 2/20 0.60
THRB P10828 1/20 0.60
RECQL P46063 1/20 0.60
ATM Q13315 1/20 0.60
MAPK1 P28482 2/20 0.51
HIF1A Q16665 1/20 0.51
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
HPGD P15428 3/20 0.45
MAPT P10636 5/20 0.43

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
SCHEMBL20213681 1.00 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL18416407 0.92 TDP1 (0.54) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL19992867 0.92 TDP1 (0.54) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL28731782 0.85 ALDH1A1 (0.64) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL28676464 0.80 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL13966434 0.79 TDP1 (0.48) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL19018345 0.76 ALDH1A1 (0.75) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL38820 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL1455133 0.76 TDP1 (0.58) ALDH1A1HSD17B10CYP3A4ALOX12TSHR
SCHEMBL8467092 0.74 ALDH1A1 (0.95) ALDH1A1HSD17B10CYP3A4ALOX12TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246390-A1 ANTIFOULING COMPOSITIONS FOR PETROLEUM PROCESS STREAMS ECOLAB USA INC. 2021-08-12 US disclosed
EP-3551719-B1 ANTIFOULING COMPOSITIONS FOR PETROLEUM PROCESS STREAMS ECOLAB USA INC (US) 2020-09-23 EP disclosed
EP-3551719-A1 ANTIFOULING COMPOSITIONS FOR PETROLEUM PROCESS STREAMS Ecolab Usa Inc. (US) 2019-10-16 EP disclosed
WO-2018106770-A1 ANTIFOULING COMPOSITIONS FOR PETROLEUM PROCESS STREAMS Ecolab USA, Inc. (US) 2018-06-14 WO disclosed
US-20180155645-A1 ANTIFOULING COMPOSITIONS FOR PETROLEUM PROCESS STREAMS ECOLAB USA INC. 2018-06-07 US disclosed