SCHEMBL28255372

SCHEMBL28255372

CCCC(=O)OC(=O)c1ccccc1.[Zr]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CES2 O00748 5/20 0.52
CES1 P23141 5/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.48
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
ELANE P08246 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 4/20 0.44
SLC6A3 Q01959 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
Hydrogen Peroxide SCHEMBL29219018 0.98 LMNA (0.56) LMNACES2CES1ALDH1A1TSHR
SCHEMBL266279 0.98 LMNA (0.56) LMNACES2CES1ALDH1A1TSHR
SCHEMBL7678289 0.93 ALDH1A1 (0.56) LMNACES2CES1ALDH1A1TSHR
SCHEMBL7678291 0.93 ALDH1A1 (0.56) LMNACES2CES1ALDH1A1TSHR
SCHEMBL20485512 0.88 ALDH1A1 (0.58) LMNACES2CES1ALDH1A1TSHR
SCHEMBL1535709 0.87 CES2 (0.56) LMNACES2CES1ALDH1A1TSHR
SCHEMBL9318015 0.86 LMNA (0.56) LMNACES2CES1ALDH1A1TSHR
SCHEMBL7153333 0.86 CES2 (0.57) LMNACES2CES1TSHRL3MBTL1
SCHEMBL2149478 0.84 CES2 (0.58) LMNACES2CES1ALDH1A1TSHR
SCHEMBL7156909 0.84 CES2 (0.58) LMNACES2CES1ALDH1A1TSHR

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
CN-105190901-B Field effect transistor 东丽株式会社 2018-12-04 CN disclosed