SCHEMBL28177673

SCHEMBL28177673

CCCS(=O)(=O)ONC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
ENPP2 Q13822 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL11255950 0.86 CA2 (0.38) PLA2G2C
SCHEMBL27470466 0.80 TGFBR1 (0.34) KDM4EKMT2AALDH1A1
SCHEMBL20299380 0.79 TGFBR1 (0.33) KDM4EKMT2AALDH1A1
SCHEMBL27972109 0.77 KDM4E (0.31) KDM4EKMT2A
SCHEMBL635230 0.76 ZDHHC20 (0.38) KDM4EKMT2AALDH1A1
SCHEMBL3634858 0.75 ZDHHC20 (0.37) KDM4EKMT2AALDH1A1
SCHEMBL27611850 0.75 KDM4E (0.31) KDM4EKMT2A
SCHEMBL28038096 0.75 CA1 (0.46) KDM4EKMT2AALDH1A1
SCHEMBL27708322 0.75 KDM4E (0.31) KDM4EKMT2A
SCHEMBL10951515 0.74 HSP90AA1 (0.48) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108191846-A High-penetration composition and its application 于崇曦 2018-06-22 CN disclosed
CN-107320732-A High-penetration composition and its application 于崇曦 2017-11-07 CN disclosed
CN-107261149-A High-penetration composition and its application 于崇曦 2017-10-20 CN disclosed
CN-102307857-A High penetration compositions and their use CHONGXI YU 2012-01-04 CN disclosed