SCHEMBL8679129

SCHEMBL8679129

C=C(C)C(=O)OCCNC(C)(C)C.C=CCOC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
GAA P10253 1/20 0.31
NMT2 O60551 1/20 0.30
NMT1 P30419 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
SCHEMBL26306 0.89 THRB (0.48) THRBTSHRALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL1396466 0.87 THRB (0.47) THRBTSHRALDH1A1KDM4EMEN1
Fluoride SCHEMBL8582115 0.87 THRB (0.47) THRBTSHRALDH1A1KDM4EMEN1
Bromide SCHEMBL11526296 0.87 THRB (0.47) THRBTSHRALDH1A1KDM4EMEN1
SCHEMBL6514445 0.87 THRB (0.39) THRBTSHRALDH1A1KDM4EMEN1
Acrylic Acid SCHEMBL30601867 0.86 THRB (0.41) THRBTSHRALDH1A1KDM4EMEN1
SCHEMBL8175481 0.84 ALDH1A1 (0.52) THRBTSHRALDH1A1KDM4EMEN1
Methacrylic Acid SCHEMBL8170359 0.84 THRB (0.44) THRBTSHRALDH1A1KDM4EMEN1
1,1-Dichloroethene SCHEMBL10925544 0.84 THRB (0.44) THRBTSHRALDH1A1KDM4EMEN1
SCHEMBL6431278 0.83 THRB (0.47) THRBTSHRALDH1A1KDM4EMEN1

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
EP-0820478-A1 WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS EASTMAN CHEMICAL COMPANY (US) 1998-01-28 EP disclosed