SCHEMBL4062183

SCHEMBL4062183

C=C(C)C(=O)OC(C=O)COCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
PLA2G2C Q5R387 7/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.34
CES2 O00748 1/20 0.34
HPGD P15428 1/20 0.34
USP2 O75604 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4067172 0.91 THRB (0.39) TSHRPLA2G2CTHRBALDH1A1
SCHEMBL4065864 0.84 THRB (0.44) TSHRTHRBALDH1A1CYP2C19
SCHEMBL4064266 0.80 ALDH1A1 (0.45) TSHRTHRBALDH1A1
SCHEMBL4060761 0.80 TSHR (0.50) TSHRPLA2G2CTHRBALDH1A1HPGD
SCHEMBL7191777 0.80 TSHR (0.46) TSHRPLA2G2CTHRBALDH1A1CES2
SCHEMBL14330404 0.78 TSHR (0.45) TSHRPLA2G2CTHRBUSP2
SCHEMBL17629463 0.78 LMNA (0.39) PLA2G2CALDH1A1USP2ATMCYP1A2
SCHEMBL13641684 0.77 TSHR (0.51) TSHRPLA2G2CTHRBALDH1A1
SCHEMBL11111869 0.76 TDP1 (0.44) TSHRPLA2G2CTHRBALDH1A1CES2
SCHEMBL887703 0.76 TDP1 (0.44) TSHRPLA2G2CTHRBALDH1A1CES2

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
WO-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO claimed
WO-2009158302-A2 VISCOUS ALPHA-CYANOACRYLATE COMPOSITIONS CLOSURE MEDICAL CORPORATION (US) 2009-12-30 WO disclosed