SCHEMBL7603556

SCHEMBL7603556

C=C(C)C(=O)OC[C](CCCC)CCCC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
THRB P10828 1/20 0.44
CES1 P23141 2/20 0.39
CES2 O00748 2/20 0.38
ALDH1A1 P00352 5/20 0.38
TP53 P04637 1/20 0.35
PAM P19021 2/20 0.35
CA1 P00915 1/20 0.34
DGKA P23743 1/20 0.34
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL1755549 0.85 TSHR (0.56) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL27972697 0.81 TSHR (0.47) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL1755519 0.79 TSHR (0.59) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL1755518 0.78 TSHR (0.62) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL25412943 0.78 TSHR (0.49) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL2523421 0.77 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11986041 0.77 TSHR (0.56) TSHRTHRBCES1ALDH1A1PAM
SCHEMBL29246557 0.77 TSHR (0.71) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL1755557 0.76 TSHR (0.50) TSHRTHRBCES1CES2ALDH1A1
SCHEMBL28070042 0.76 TSHR (0.50) TSHRTHRBCES1CES2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266941-A1 Water-based ink KAO CORPORATION (JP) 2002-12-18 EP disclosed
EP-0376318-A2 Thermosensitive recording member KAO CORPORATION (JP) 1990-07-04 EP disclosed