SCHEMBL6290761

SCHEMBL6290761

C=C(C(C)=O)C(=O)OCC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.69
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX4 Q99571 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS1 P23219 1/20 0.30
APEX1 P27695 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
SCHEMBL20262429 0.89 TSHR (0.71) TSHRALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL23668339 0.85 TSHR (0.50) TSHRALDH1A1THRBMAPTMAPK1
SCHEMBL218091 0.84 TSHR (0.50) TSHRALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL24562 0.82 TSHR (1.00) TSHRALDH1A1SMN1; SMN2TDP1THRB
SCHEMBL1373745 0.81 TSHR (0.67) TSHRALDH1A1SMN1; SMN2TDP1HPGD
Ethylene SCHEMBL27833189 0.80 TSHR (0.95) TSHRALDH1A1SMN1; SMN2TDP1THRB
Hydroxyl Radical SCHEMBL28311885 0.80 TSHR (0.95) TSHRALDH1A1SMN1; SMN2TDP1THRB
SCHEMBL9082422 0.80 TSHR (0.95) TSHRALDH1A1SMN1; SMN2TDP1THRB
SCHEMBL298254 0.78 TSHR (0.68) TSHRALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL7678018 0.77 TSHR (0.68) TSHRALDH1A1SMN1; SMN2TDP1HPGD

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
US-6921746-B2 Multifunctional polymers, method for the production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20030236178-A1 Multifunctional polymers, method for the production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2003-12-25 US disclosed