SCHEMBL23876178

SCHEMBL23876178

CC(C)(C(=O)OCc1ccccc1)c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
PTPRC P08575 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KCNN4 O15554 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
MGLL Q99685 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
APP P05067 1/20 0.38

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
SCHEMBL23876181 0.88 PPARG (0.44) PTPN1PTPRCALDH1A1KMT2AMEN1
SCHEMBL23876184 0.87 ALDH1A1 (0.46) PTPN1PTPRCALDH1A1KMT2AMEN1
SCHEMBL23876180 0.84 KMT2A (0.50) PTPN1PTPRCALDH1A1KCNN4KMT2A
SCHEMBL4679715 0.82 ALDH1A1 (0.46) PTPN1PTPRCALDH1A1KMT2AMEN1
SCHEMBL23876186 0.81 NPC1 (0.49) PTPN1PTPRCALDH1A1KMT2AMEN1
SCHEMBL15910890 0.81 LMNA (0.54) PTPN1PTPRCALDH1A1KMT2AL3MBTL1
SCHEMBL23876183 0.81 ALDH1A1 (0.45) PTPN1PTPRCALDH1A1KMT2AL3MBTL1
SCHEMBL17472474 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AL3MBTL1MAPK1SLC6A2
SCHEMBL13077617 0.79 KMT2A (0.40) PTPN1ALDH1A1KMT2AMEN1MAPK1
SCHEMBL228601 0.78 NR4A2 (0.51) PTPN1PTPRCALDH1A1KMT2ASLC6A2

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
US-20210301206-A1 LIQUID CRYSTAL MATERIAL COMPOSITION AND DISPLAY DEVICE JAPAN DISPLAY INC. (JP) 2021-09-30 US disclosed