SCHEMBL28452011

SCHEMBL28452011

C=C(c1ccccc1)C(OC(=O)Cl)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
RECQL P46063 1/20 0.39
ELANE P08246 2/20 0.39
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
F2 P00734 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2659176 0.73 TSHR (0.59) TSHRTP53LMNAMAPTSMN1; SMN2
SCHEMBL3246306 0.73 ALDH1A1 (0.50) TSHRTP53LMNAMAPTNPSR1
SCHEMBL2566722 0.72 MAPT (0.46) TSHRTP53LMNAMAPTNPSR1
SCHEMBL20752929 0.72 MAPT (0.46) TSHRLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL25747187 0.70 TSHR (0.55) TSHRTP53LMNAMAPTNPSR1
SCHEMBL15258862 0.70 KMT2A (0.47) TSHRLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL28636059 0.69 ALDH1A1 (0.55) TSHRTP53LMNAMAPTATM
SCHEMBL14297457 0.69 TSHR (0.53) TSHRTP53LMNAMAPTNPSR1
SCHEMBL29401437 0.68 ALDH1A1 (0.49) TSHRTP53LMNAMAPTATM
SCHEMBL29870755 0.68 ALDH1A1 (0.49) TSHRTP53LMNAMAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574658-B Structure of acrylic ester antifouling resin grafted with benzisothiazolinone formate monomer and preparation method thereof 海南大学 2021-10-22 CN disclosed
CN-111574658-A Structure of acrylic ester antifouling resin grafted with benzisothiazolinone formate monomer and preparation method thereof 海南大学 2020-08-25 CN disclosed