SCHEMBL28404205

SCHEMBL28404205

O=C(OOOOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
ALOX15 P16050 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GSK3B P49841 2/20 0.46
SRD5A2 P31213 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.46
F2 P00734 1/20 0.46
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL22619 0.90 CES2 (0.59) CES2CES1ALOX15TSHRL3MBTL1
SCHEMBL22115811 0.90 CES2 (0.59) CES2CES1ALOX15TSHRL3MBTL1
SCHEMBL11203207 0.84 ALDH1A1 (0.53) CES2CES1ALOX15TSHRL3MBTL1
SCHEMBL2316073 0.82 ALDH1A1 (0.53) CES2CES1ALOX15TSHRL3MBTL1
Benzoyl Peroxide SCHEMBL10536706 0.82 LMNA (0.74) CES2CES1ALOX15TSHRL3MBTL1
SCHEMBL9994270 0.80 RAB9A (0.56) CES2CES1ALOX15TSHRL3MBTL1
SCHEMBL28775846 0.80 CES2 (0.59) CES2CES1ALOX15TSHRL3MBTL1
SCHEMBL247590 0.80 CES2 (0.59) CES2CES1ALOX15TSHRL3MBTL1
SCHEMBL2228425 0.78 CES2 (0.56) CES2CES1ALOX15TSHRL3MBTL1
SCHEMBL160814 0.78 CES2 (0.56) CES2CES1ALOX15TSHRL3MBTL1

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-111286147-A Polymer composition, foam thereof and method 台橡股份有限公司 2020-06-16 CN disclosed