SCHEMBL28412959

SCHEMBL28412959

C=CC(=O)OCCCCC(O)COC(=O)C=C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.62
ALDH1A1 P00352 6/20 0.62
CYP3A4 P08684 4/20 0.62
HPGD P15428 2/20 0.52
TP53 P04637 4/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.39
THRB P10828 2/20 0.37
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 3/20 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
SCHEMBL1405778 0.95 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2467984 0.91 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8965488 0.87 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29214718 0.86 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5167888 0.86 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11032524 0.86 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23581481 0.84 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL304613 0.84 ALDH1A1 (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9168273 0.84 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDUSP2
SCHEMBL10557592 0.84 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111320962-B Fast-curing UV adhesive and preparation method thereof 詹志豪 2022-12-13 CN claimed
CN-111320962-B Fast-curing UV adhesive and preparation method thereof 詹志豪 2022-12-13 CN disclosed
CN-111320962-A Fast-curing UV adhesive and preparation method thereof 詹志豪 2020-06-23 CN disclosed