SCHEMBL8841240

SCHEMBL8841240

N#CCC(=O)OCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MCL1 Q07820 4/20 0.36
LMNA P02545 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
PAM P19021 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL6890414 0.84 MCL1 (0.43) MCL1TDP1ADRA2AADRA1AMAPT
SCHEMBL11585251 0.81 MCL1 (0.50) MCL1LMNAL3MBTL1TSHRADRA2A
SCHEMBL23231149 0.79 MCL1 (0.40) MCL1LMNATDP1ALDH1A1MAPT
SCHEMBL20368988 0.79 NAAA (0.41) MCL1LMNATSHRTDP1ALDH1A1
SCHEMBL8841248 0.79 TSHR (0.46) MCL1LMNATSHRADRA2AADRA1A
SCHEMBL10835416 0.78 CYP1A2 (0.42) MCL1LMNAL3MBTL1TSHRADRA2A
SCHEMBL3785372 0.77 MCL1 (0.39) MCL1TSHRALDH1A1
SCHEMBL10396864 0.77 MCL1 (0.39) MCL1TDP1ALDH1A1
SCHEMBL13557224 0.77 MCL1 (0.39) MCL1TSHRALDH1A1
SCHEMBL31678679 0.77 NAAA (0.45) MCL1TSHRALDH1A1

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
US-5652371-A 3-imino-3-alkoxy-propionic acid lactates and their tautomeric acrylic acid lactates BAYER AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed