SCHEMBL6263245

SCHEMBL6263245

C=CC(=O)OC(C)N(CC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
THRB P10828 3/20 0.38
PGR P06401 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRA P10827 1/20 0.35
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL8942110 0.81 ALDH1A1 (0.44) TSHRALDH1A1GLAPGRADRA2A
SCHEMBL7644507 0.81 HCAR2 (0.41) TSHRALDH1A1THRBTP53LMNA
SCHEMBL10409301 0.80 ALDH1A1 (0.43) TSHRALDH1A1GLAPGRADRA2A
SCHEMBL1900060 0.79 ALDH1A1 (0.40) TSHRALDH1A1GLAPGRADRA2A
SCHEMBL8975083 0.79 TSHR (0.46) TSHRALDH1A1GLAPGRADRA2A
SCHEMBL14135507 0.79 ALDH1A1 (0.41) TSHRALDH1A1GLATHRBTP53
SCHEMBL11653002 0.78 TP53 (0.44) TSHRALDH1A1GLAPGRADRA2A
SCHEMBL14135329 0.77 ALDH1A1 (0.46) TSHRALDH1A1GLAPGRADRA2A
SCHEMBL11671701 0.77 TDP1 (0.42) TSHRALDH1A1GLATHRBPGR
SCHEMBL8550442 0.75 TP53 (0.38) TSHRALDH1A1THRBPGRADRA2A

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
WO-2005016976-A2 HEMOCOMPATIBLE POLYMER SYSTEMS AND RELATED METHODS ALBRIGHT ROBERT L (US) 2005-02-24 WO claimed