SCHEMBL10868720

SCHEMBL10868720

C=CC(=O)OCCCCCCCOOC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 1/20 0.54
TDP1 Q9NUW8 2/20 0.54
THRB P10828 1/20 0.50
LMNA P02545 3/20 0.44
F2 P00734 1/20 0.44
HPGD P15428 1/20 0.42
HIF1A Q16665 3/20 0.39
TP53 P04637 2/20 0.39
AKT1 P31749 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10868865 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL10868377 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL10869069 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL10868646 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL8719254 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL10869207 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL1247174 0.99 TDP1 (0.56) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL10869847 0.96 TDP1 (0.51) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL8334840 0.91 TDP1 (0.49) TSHRALDH1A1CYP3A4TDP1THRB
SCHEMBL1249527 0.90 THRB (0.58) TSHRALDH1A1CYP3A4TDP1THRB

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
EP-0184482-A1 Thermotropical polymers with chiral lateral chains, and process for their preparation THOMSON-CSF (FR) 1986-06-11 EP disclosed