SCHEMBL28312133

SCHEMBL28312133

CCCC(C)=C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 6/20 0.50
▸ CES1 P23141 6/20 0.50
▸ ESR1 P03372 2/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ATM Q13315 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALOX5 P09917 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL29225392 0.82 PTGS2 (0.53) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL9310242 0.82 CES2 (0.50) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL4949623 0.81 ATM (0.48) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL11596288 0.78 CES2 (0.47) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL816510 0.76 CES2 (0.54) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL3345376 0.74 CES2 (0.47) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL14763930 0.74 CES2 (0.47) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL392449 0.73 CES2 (0.56) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL818007 0.73 CES2 (0.56) CES2CES1ESR1PTGS2SMN1; SMN2
SCHEMBL4326009 0.73 ESR1 (0.64) CES2CES1ESR1PTGS2SMN1; SMN2

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
CN-110144139-A A kind of zinc oxide base nano particle ink and photoelectric device 纳晶科技股份有限公司 2019-08-20 — — CN claimed
CN-110144139-A A kind of zinc oxide base nano particle ink and photoelectric device 纳晶科技股份有限公司 2019-08-20 — — CN disclosed
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