SCHEMBL22722201

SCHEMBL22722201

O=C(NC(CO)CO)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.59
MMP3 P08254 1/20 0.59
PLK1 P53350 1/20 0.57
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DEGS1 O15121 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PTPN1 P18031 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL11617237 0.84 PLK1 (0.48) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL12177598 0.83 PLK1 (0.54) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL9830741 0.83 MMP3 (0.54) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL9830733 0.83 MMP3 (0.54) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL9260283 0.81 TACR3 (0.60) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL1505526 0.80 HDAC8 (0.59) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL22722197 0.80 ALDH1A1 (0.50) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL8737627 0.79 PLK1 (0.66) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL12985386 0.79 PLK1 (0.53) HDAC8MMP3PLK1HPGDALDH1A1
SCHEMBL24767558 0.78 MEN1 (0.67) HDAC8MMP3PLK1HPGDALDH1A1

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
US-20210184251-A1 ELECTRODE COMPOSITION, ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY, ALL-SOLID STATE SECONDARY BATTERY, AND METHOD OF MANUFACTURING ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY OR MANUFACTURING ALL-SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2021-06-17 US disclosed
US-20210104773-A1 SOLID ELECTROLYTE-CONTAINING SHEET, ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY, ALL-SOLID STATE SECONDARY BATTERY, ELECTRONIC APPARATUS, AND ELECTRIC VEHICLE, AND METHODS OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2021-04-08 US disclosed
US-20210083299-A1 CURRENT COLLECTOR WITH EASILY ADHESIVE LAYER, ELECTRODE, ALL-SOLID STATE SECONDARY BATTERY, ELECTRONIC APPARATUS, ELECTRIC VEHICLE, AND METHODS OF MANUFACTURING CURRENT COLLECTOR WITH EASILY ADHESIVE LAYER, ELECTRODE, AND ALL-SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2021-03-18 US disclosed
US-10854914-B2 Solid electrolyte composition, sheet for all-solid state secondary battery, electrode sheet for all-solid state secondary battery, all-solid state secondary battery, and methods for manufacturing sheet for all-solid state secondary battery, electrode sheet for all-solid state secondary battery, and all-solid state secondary battery FUJIFILM CORPORATION (JP) 2020-12-01 US disclosed