SCHEMBL28441977

SCHEMBL28441977

COC1(OC(C)C)C=CC(C(=O)c2ccccc2)=C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 6/20 0.33
LMNA P02545 5/20 0.33
ALDH1A1 P00352 5/20 0.33
PTGS1 P23219 5/20 0.33
PTGS2 P35354 5/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 1/20 0.33
HPGD P15428 5/20 0.32
HTT P42858 3/20 0.32
CYP3A4 P08684 2/20 0.32
RECQL P46063 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL28327487 0.94 ELANE (0.38) ELANEGABRA1GABRB1PTGESALOX5
SCHEMBL3120605 0.90 ALDH1A1 (0.37) ELANEGABRA1GABRB1PTGESALOX5
SCHEMBL28438117 0.87 ELANE (0.34) ELANEGABRA1GABRB1PTGESALOX5
SCHEMBL28438094 0.87 ELANE (0.34) ELANEGABRA1GABRB1PTGESALOX5
SCHEMBL28435554 0.85 LMNA (0.35) ELANEGABRA1GABRB1PTGESALOX5
SCHEMBL28438347 0.83 ELANE (0.34) ELANEPTGESALOX5MAPTLMNA
SCHEMBL28435553 0.82 ELANE (0.33) ELANEALOX5MAPTLMNAALDH1A1
SCHEMBL29215525 0.82 ELANE (0.38) ELANEGABRA1GABRB1PTGESALOX5
SCHEMBL28438096 0.81 LMNA (0.38) ELANEMAPTLMNAALDH1A1KMT2A
SCHEMBL28436065 0.79 LMNA (0.34) ELANEMAPTLMNAALDH1A1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114599689-B Bleaching agent, preparation thereof and use thereof with polymerizable compositions for optical materials 三井化学株式会社 2024-05-31 CN disclosed
CN-114599689-A Bleaching agent, its preparation and its use with polymerizable compositions for optical materials 三井化学株式会社 2022-06-07 CN disclosed
CN-110291122-B Polymerizable composition for optical material, optical material obtained from the composition, and plastic lens 三井化学株式会社 2022-03-01 CN disclosed
CN-108350106-B Polymerizable composition for optical material, optical material obtained from the composition, and plastic lens 三井化学株式会社 2021-05-14 CN disclosed
CN-111406076-A Polymerizable composition for optical material, molded body, optical material, plastic lens, and method for producing same 三井化学株式会社 2020-07-10 CN disclosed