SCHEMBL28393149

SCHEMBL28393149

COc1ccc(C(=O)c2ccccc2)cc1.[NaH]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.74
▸ CES1 P23141 2/20 0.74
▸ LMNA P02545 3/20 0.66
▸ ELANE P08246 3/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.66
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ ACHE P22303 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.59
▸ GAA P10253 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59

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
Benzophenone SCHEMBL27935236 0.98 CES2 (0.77) CES2CES1LMNAELANEKMT2A
SCHEMBL6618691 0.98 CES2 (0.77) CES2CES1LMNAELANEKMT2A
SCHEMBL50261 0.98 CES2 (0.77) CES2CES1LMNAELANEKMT2A
Hydrochloric Acid SCHEMBL4595086 0.96 CES2 (0.74) CES2CES1LMNAELANEKMT2A
SCHEMBL28888786 0.96 CES2 (0.74) CES2CES1LMNAELANEKMT2A
Hydrochloric Acid SCHEMBL4595093 0.96 CES2 (0.74) CES2CES1LMNAELANEKMT2A
Ethyne SCHEMBL8192853 0.94 CES2 (0.71) CES2CES1LMNAELANEKMT2A
SCHEMBL28728499 0.94 CES2 (0.71) CES2CES1LMNAELANEKMT2A
SCHEMBL17080311 0.92 CES2 (0.69) CES2CES1LMNAELANEKMT2A
SCHEMBL18545953 0.92 CES2 (0.69) CES2CES1LMNAELANEKMT2A

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-107793568-B Biphenyl polyether sulfone resin containing methoxy biphenyl ether group and synthesis method and application thereof 金发科技股份有限公司 2020-04-14 — — CN disclosed
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