SCHEMBL28614099

SCHEMBL28614099

C=CC(=O)NCC(O)COC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
ADRB3 P13945 3/20 0.32
LMNA P02545 1/20 0.31
RECQL P46063 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
SCHEMBL22215987 0.86 TSHR (0.49) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL18855011 0.84 TSHR (0.51) TSHRALDH1A1MAPK1TDP1THRB
SCHEMBL1754785 0.83 TSHR (0.53) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL685093 0.78 TSHR (0.55) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL94906 0.77 TSHR (0.68) TSHRALDH1A1TDP1USP2CYP3A4
SCHEMBL15373711 0.77 TSHR (0.36) TSHRALDH1A1MAPK1TDP1USP2
SCHEMBL24754925 0.77 TSHR (0.53) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL13893065 0.77 TSHR (0.53) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL23964584 0.77 TSHR (0.53) TSHRALDH1A1MAPK1USP2CYP3A4
Hydrochloric Acid SCHEMBL1345735 0.77 TSHR (0.53) TSHRALDH1A1THRBADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920353-B Preparation method of monodisperse core-shell particles capable of being magnetically assembled into high-color saturation photonic crystals in oleoresin 武汉理工大学 2023-09-15 CN disclosed
CN-112920463-B Monodisperse core-shell particle capable of being magnetically discolored in oleoresin and preparation method thereof 武汉理工大学 2023-03-17 CN disclosed
CN-112920353-A Preparation method of monodisperse core-shell particles capable of being magnetically assembled into high-color-saturation photonic crystals in oleoresin 武汉理工大学 2021-06-08 CN disclosed
CN-112920463-A Monodisperse core-shell particle capable of being magnetically discolored in oleoresin and preparation method thereof 武汉理工大学 2021-06-08 CN disclosed