SCHEMBL28697447

SCHEMBL28697447

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.60
ALDH1A1 P00352 4/20 0.60
CYP3A4 P08684 2/20 0.60
HPGD P15428 1/20 0.59
THRB P10828 2/20 0.50
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 3/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APP P05067 2/20 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
SCHEMBL12623816 0.95 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL11141028 0.86 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL4596896 0.84 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL28863694 0.82 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL29481356 0.82 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL4596374 0.82 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL10286925 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL8966180 0.81 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL28152366 0.80 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL1501334 0.80 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTHRB

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
CN-111542554-B Polymer, curable resin composition, and use thereof 株式会社日本触媒 2022-03-18 CN disclosed