SCHEMBL28067445

SCHEMBL28067445

O=C(O)c1ccccc1OCc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.62
RXRB P28702 1/20 0.62
RXRG P48443 1/20 0.62
MCL1 Q07820 1/20 0.59
PTGER1 P34995 3/20 0.57
FOLH1 Q04609 1/20 0.54
ALDH1A1 P00352 2/20 0.52
PARP1 P09874 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.51
PTK2B Q14289 1/20 0.51
SGMS2 Q8NHU3 2/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
PTPN11 Q06124 1/20 0.50

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
SCHEMBL5840038 0.89 RXRA (0.59) RXRARXRBRXRGMCL1PTGER1
SCHEMBL112903 0.85 SGMS2 (0.66) MCL1PTGER1FOLH1ALDH1A1PARP1
SCHEMBL29433417 0.85 SGMS2 (0.66) MCL1PTGER1FOLH1ALDH1A1PARP1
SCHEMBL27610143 0.84 GAA (0.64) RXRARXRBRXRGPTGER1FOLH1
SCHEMBL28067401 0.84 LTB4R2 (0.56) RXRARXRBRXRGFOLH1LTB4R2
Hydrochloric Acid SCHEMBL8998291 0.84 SGMS2 (0.64) MCL1PTGER1FOLH1ALDH1A1PARP1
Bicarbonate SCHEMBL29914194 0.84 SGMS2 (0.64) MCL1PTGER1FOLH1ALDH1A1PARP1
SCHEMBL17799483 0.84 SGMS2 (0.64) MCL1PTGER1FOLH1ALDH1A1PARP1
Bicarbonate SCHEMBL21753662 0.84 SGMS2 (0.64) MCL1PTGER1FOLH1ALDH1A1PARP1
Bicarbonate SCHEMBL236872 0.84 SGMS2 (0.64) MCL1PTGER1FOLH1ALDH1A1PARP1

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-105732669-A Dicaboxylic acid ligand silver complex and preparation method and application thereof 曲阜师范大学 2016-07-06 CN disclosed