SCHEMBL4067170

SCHEMBL4067170

C=C(C)C(=O)OC(C)COC(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ALDH1A1 P00352 4/20 0.39
THRB P10828 1/20 0.38
NAAA Q02083 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
PRKCA P17252 3/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 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
SCHEMBL7760377 0.89 TSHR (0.57) TSHRALDH1A1THRBMAPTPRKCA
SCHEMBL3914438 0.87 TSHR (0.55) TSHRALDH1A1THRBMAPTLMNA
SCHEMBL14375220 0.86 TSHR (0.50) TSHRALDH1A1THRBMAPTLMNA
SCHEMBL16803291 0.85 TSHR (0.67) TSHRALDH1A1THRBMAPTBLM
SCHEMBL160208 0.85 TSHR (0.73) TSHRALDH1A1THRBMAPTBLM
SCHEMBL25430954 0.84 TSHR (0.52) TSHRALDH1A1THRBMGAMGAA
SCHEMBL28061998 0.84 TSHR (0.52) TSHRALDH1A1MAPTLMNAPRKCA
SCHEMBL7759192 0.84 TSHR (0.52) TSHRALDH1A1MAPTLMNAPRKCA
SCHEMBL27245507 0.83 TSHR (0.47) TSHRALDH1A1THRBPRKCA
SCHEMBL7261409 0.83 TSHR (0.59) TSHRALDH1A1THRBMAPTLMNA

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