SCHEMBL16353333

SCHEMBL16353333

CCC(CCC(C)C(=O)NCCO)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CYP3A4 P08684 1/20 0.57
POLB P06746 2/20 0.45
CNR1 P21554 3/20 0.44
CNR2 P34972 2/20 0.43
KDM4A O75164 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NAAA Q02083 2/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
APAF1 O14727 1/20 0.40
CASR P41180 1/20 0.40
LMNA P02545 1/20 0.39
PAX8 Q06710 1/20 0.39
REN P00797 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
SCHEMBL6061571 0.80 APAF1 (0.50) POLBMEN1KMT2AAPAF1LMNA
SCHEMBL27710909 0.73 TRPA1 (0.50) LMNA
SCHEMBL18793698 0.73 TRPA1 (0.50) LMNA
SCHEMBL1144424 0.73 TRPA1 (0.50) LMNA
SCHEMBL18125089 0.71 CNR1 (0.58) TSHRCYP3A4POLBCNR1MEN1
SCHEMBL18125094 0.71 CNR1 (0.58) TSHRCYP3A4POLBCNR1MEN1
SCHEMBL18125092 0.71 CNR1 (0.58) TSHRCYP3A4POLBCNR1MEN1
SCHEMBL13652992 0.71 REN (0.55) TSHRPOLBCNR1CNR2KDM4A
SCHEMBL3831866 0.71 USP2 (0.54) TSHRCYP3A4CNR1MEN1KMT2A
SCHEMBL14238600 0.71 USP2 (0.54) TSHRCYP3A4CNR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150004539-A1 MAGENTA TONER CONTAINING COMPOUND HAVING AZO SKELETON CANON KABUSHIKI KAISHA (JP) 2015-01-01 US disclosed
US-20140377697-A1 CYAN TONER CONTAINING COMPOUND HAVING AZO SKELETON CANON KABUSHIKI KAISHA (JP) 2014-12-25 US disclosed