SCHEMBL19998147

SCHEMBL19998147

CCC(COC(=O)OCc1ccccc1)(COC(=O)OCc1ccccc1)COC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
HIF1A Q16665 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL24250956 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
SCHEMBL8776611 0.83 ALDH1A1 (0.42) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
SCHEMBL37382 0.83 ALDH1A1 (0.68) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
SCHEMBL1840737 0.82 ALDH1A1 (0.62) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
Bicarbonate SCHEMBL29183459 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
Water SCHEMBL8217838 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
Ammonia Solution, Strong SCHEMBL9998884 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
SCHEMBL8045325 0.81 ALDH1A1 (0.52) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
SCHEMBL24722404 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2
Formaldehyde SCHEMBL28519982 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180087010-A1 PRE-RINSING LIQUID, PRE-RINSING TREATMENT METHOD, AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2018-03-29 US disclosed
US-20180087010-A1 PRE-RINSING LIQUID, PRE-RINSING TREATMENT METHOD, AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2018-03-29 US disclosed