SCHEMBL11433643

SCHEMBL11433643

CCCCOCCOC(C)OCOC(C)OCCOCCCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
USP2 O75604 1/20 0.31
RARB P10826 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9137911 0.93 TSHR (0.48) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL8766929 0.86 LMNA (0.41) TSHRCYP3A4LMNASMN1; SMN2ADRB2
SCHEMBL10353371 0.84 TSHR (0.44) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL2962642 0.84 LMNA (0.36) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL2721224 0.83 TSHR (0.61) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL15820283 0.80 TSHR (0.44) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL4838940 0.79 TSHR (0.48) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL7585280 0.79 TSHR (0.48) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL20825331 0.79 TSHR (0.48) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL3419111 0.79 TSHR (0.48) TSHRCYP3A4MAPTMEN1THRB

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-4214929-A Liquid monopropellants containing dissolved combustion modifiers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1980-07-29 US claimed