SCHEMBL7706289

SCHEMBL7706289

C=C(C)C(=O)OC(C)(C)CCCCCCC(C)(C)OC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ACLY P53396 1/20 0.31

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
SCHEMBL7709308 1.00 TSHR (0.41) TSHRALDH1A1TDP1GAAFFAR1
SCHEMBL7701376 1.00 TSHR (0.41) TSHRALDH1A1TDP1GAAFFAR1
SCHEMBL7706303 0.98 ALDH1A1 (0.41) TSHRALDH1A1TDP1GAAFFAR1
SCHEMBL7701340 0.94 ALDH1A1 (0.41) TSHRALDH1A1GAATHRB
SCHEMBL28232252 0.93 TSHR (0.53) TSHR
SCHEMBL19019776 0.93 CYP4F2 (0.42) TSHRALDH1A1TDP1GAAFFAR1
SCHEMBL28769247 0.93 TSHR (0.53) TSHR
SCHEMBL10447459 0.93 TSHR (0.53) TSHR
SCHEMBL5856021 0.90 TSHR (0.50) TSHRALDH1A1THRB
SCHEMBL19019798 0.90 CYP4F2 (0.40) TSHRALDH1A1TDP1GAATHRB

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-6355702-B1 HEAT DECOMPOSITION OF ACRYLIC RESIN; CURING; CROSSLINKED NETWORK CORNELL RESEARCH FOUNDATION, INC. 2002-03-12 US disclosed