SCHEMBL19977148

SCHEMBL19977148

CC(C)Cc1ccc2c(CC(C)c3cc4ccccc4[nH]3)c[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 4/20 0.48
AHR P35869 2/20 0.45
HTR2A P28223 3/20 0.45
HTR2C P28335 2/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1E P28566 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL19506591 0.79 GABRA1 (0.51) HTR2AHTR2CADRB1HTR1AADRA2A
SCHEMBL22179532 0.76 PCSK9 (0.42) PCSK9AHRHTR2AHTR2CHTR2B
SCHEMBL20718219 0.74 HTR2A (0.49) HTR2AHTR2CADRB1HTR1AADRA2A
SCHEMBL22179628 0.71 AHR (0.39) PCSK9AHRHTR2AHTR2CHTR2B
SCHEMBL20088898 0.70 PCSK9 (0.45) PCSK9AHRHTR2AHTR2CHTR2B
SCHEMBL27439583 0.69 ALOX5 (0.48) KDM4EMAPTL3MBTL1
SCHEMBL25497958 0.69 HSD17B10 (0.51) KDM4EMAPT
SCHEMBL23317711 0.69 HTR2A (0.60) AHRHTR2AHTR2CADRB1HTR1A
SCHEMBL827572 0.69 HTR2A (0.74) AHRHTR2AHTR2CADRB1HTR1A
SCHEMBL26054160 0.69 HTR2A (0.56) AHRHTR2AHTR2CADRB1HTR1A

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-9918473-B2 Use of aryl carbamates in agriculture and other plant-related areas North Carolian State University (US) 2018-03-20 US disclosed