SCHEMBL11207907

SCHEMBL11207907

CCOC(CN(CC)c1ccccc1)OC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
CNR2 P34972 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33

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
SCHEMBL11685337 0.94 L3MBTL1 (0.36) TSHRALDH1A1ALDH3A1ALDH1A3NPY1R
SCHEMBL11215767 0.86 EGFR (0.39) TSHRALDH1A1MEN1NPC1RAB9A
SCHEMBL11671708 0.84 TSHR (0.39) TSHRALDH1A1ALDH3A1ALDH1A3MEN1
SCHEMBL10996027 0.82 CYP3A4 (0.36) TSHRALDH1A1NPY1RNPY2RMEN1
SCHEMBL11687133 0.79 RECQL (0.35) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL11212775 0.79 TSHR (0.42) TSHRALDH1A1ALDH3A1ALDH1A3NPY1R
SCHEMBL10990457 0.78 TSHR (0.33) TSHRALDH1A1ALDH3A1ALDH1A3KMT2A
SCHEMBL11670849 0.74 ALOX15 (0.43) ALDH1A1L3MBTL1MAPTKDM4EGAA
SCHEMBL11671881 0.74 MEN1 (0.38) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL11672899 0.74 ATM (0.32) ALDH1A1MEN1KMT2AL3MBTL1GAA

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed