SCHEMBL29023912

SCHEMBL29023912

C=C(C)C(=O)OCCCNCC.C=CC(=O)OCCNC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 2/20 0.38
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SAT1 P21673 1/20 0.32
ATM Q13315 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
SCHEMBL8627253 0.88 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL345430 0.83 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL108888 0.83 TSHR (0.59) TSHRHPGDALDH1A1THRBPOLB
Hydrochloric Acid SCHEMBL28246373 0.82 TSHR (0.58) TSHRALDH1A1THRBPOLBAPEX1
Hydrochloric Acid SCHEMBL6053194 0.82 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Methyl Ester SCHEMBL28170902 0.81 THRB (0.42) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid SCHEMBL29105074 0.79 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL107923 0.79 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL111074 0.79 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11648676 0.79 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4THRB

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-116171293-A Amine modified polysaccharide carbamate/urea microcapsules 恩盖普有限公司 2023-05-26 CN disclosed