SCHEMBL8073553

SCHEMBL8073553

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(CCC1CO1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 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
SCHEMBL3423249 0.88 ALDH1A1 (0.49) TSHRALDH1A1
SCHEMBL2816460 0.86 ALDH1A1 (0.55) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL9334006 0.85 ALDH1A1 (0.44) ALDH1A1
SCHEMBL5614326 0.83 ALDH1A1 (0.68) TSHRALDH1A1POLBAPEX1HTT
SCHEMBL1685755 0.82 TSHR (0.42) TSHRALDH1A1POLBTDP1SMN1; SMN2
Acrylic Acid Ethyl Ester SCHEMBL6271486 0.81 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL277778 0.80 ALDH1A1 (0.71) TSHRALDH1A1
Methacrylic Acid SCHEMBL4865839 0.79 TSHR (0.66) TSHRALDH1A1POLBAPEX1HTT
Methacrylic Acid SCHEMBL27388646 0.79 TSHR (0.66) TSHRALDH1A1POLBAPEX1HTT
Methacrylic Acid SCHEMBL11696629 0.79 ALDH1A1 (0.69) TSHRALDH1A1POLBAPEX1HTT

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-0620481-B1 Silver Halide photographic light-sensitive material KONISHIROKU PHOTO IND (JP) 2000-08-09 EP disclosed