SCHEMBL22129653

SCHEMBL22129653

CC=C(C)C(=O)OCCCCCCCCCC(C)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
FAAH O00519 1/20 0.37
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
NAAA Q02083 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL25313763 1.00 TSHR (0.40) TSHRALDH1A1MAPTFAAHCYP3A4
SCHEMBL22129654 1.00 TSHR (0.40) TSHRALDH1A1MAPTFAAHCYP3A4
SCHEMBL10791477 1.00 TSHR (0.40) TSHRALDH1A1MAPTFAAHCYP3A4
SCHEMBL870591 1.00 TSHR (0.40) TSHRALDH1A1MAPTFAAHCYP3A4
SCHEMBL1627139 0.98 TSHR (0.37) TSHRALDH1A1MAPTFAAHCYP3A4
SCHEMBL8523215 0.93 ALDH1A1 (0.36) TSHRALDH1A1MAPTFAAHCYP3A4
SCHEMBL27824849 0.88 TSHR (0.41) TSHRALDH1A1FAAHCYP3A4ZDHHC7
SCHEMBL3292506 0.85 ALOX15 (0.37) TSHRALDH1A1FAAH
SCHEMBL3292504 0.85 ALOX15 (0.37) TSHRALDH1A1FAAH
SCHEMBL32686846 0.85 TSHR (0.50) TSHRALDH1A1FAAHCYP3A4NAAA

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
WO-2020129902-A1 PHOTOCURABLE COMPOSITION FOR IMPRINTING 日産化学株式会社 2020-06-25 WO disclosed