SCHEMBL8356933

SCHEMBL8356933

C=C(C)C(=O)OCCCN(C)C.C=CN1CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP11B2 P19099 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL6396065 1.00 TSHR (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8358756 0.98 TSHR (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL211012 0.93 THRB (0.33) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3627211 0.90 TSHR (0.43) TSHRPOLBAPEX1HTTTDP1
Sulfuric Acid SCHEMBL4396939 0.89 THRB (0.31) TSHRTHRBCHRM2CHRM4CHRM1
SCHEMBL31513756 0.88 THRB (0.32) TSHRTHRBCHRM2CHRM4CHRM1
SCHEMBL28333248 0.88 THRB (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10598332 0.87 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
Sulfuric Acid Dimethyl Ester SCHEMBL462142 0.86
SCHEMBL4400065 0.86

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-117642144-A Water insoluble fibrous article comprising active agent 宝洁公司 2024-03-01 CN disclosed
US-8778314-B2 Co-polymers in hair styling applications CRODA INTERNATIONAL PLC (GB) 2014-07-15 US disclosed
WO-1999031152-A1 VINYL PYRROLIDONE POLYMERS SUBSTANTIALLY FREE OF VINYL LACTAM MONOMER ISP INVESTMENTS INC. (US) 1999-06-24 WO disclosed
US-5830964-A DECOLORING, DEODORIZING, POROUS SULFONIC OR CARBOXYLIC ACID RESIN ISP INVESTMENTS INC. (US) 1998-11-03 US disclosed