SCHEMBL23876183

SCHEMBL23876183

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.43
OPRK1 P41145 1/20 0.42
PTPN1 P18031 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PTPRC P08575 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KIF11 P52732 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
SLC6A3 Q01959 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39

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) ALDH1A1LMNAPTPN1RXRARXRB
SCHEMBL23876186 0.84 NPC1 (0.49) ALDH1A1LMNAPTPN1PTPRCNPSR1
SCHEMBL4679715 0.82 ALDH1A1 (0.46) ALDH1A1PTPN1PTPRCPPARGPPARA
SCHEMBL30730276 0.81 CNR2 (0.54) ALDH1A1LMNANPSR1PPARAMAPK1
SCHEMBL15910890 0.81 LMNA (0.54) ALDH1A1LMNAPTPN1PTPRCSLC6A3
SCHEMBL23876178 0.81 PTPN1 (0.45) ALDH1A1PTPN1PTPRCSLC6A3MAPK1
SCHEMBL17472474 0.80 ALDH1A1 (0.47) ALDH1A1LMNAKIF11SLC6A3MAPK1
SCHEMBL228601 0.78 NR4A2 (0.51) ALDH1A1LMNAPTPN1RXRARXRB
SCHEMBL3045824 0.78 ALDH1A1 (0.49) ALDH1A1PTPN1PTPRCSLC6A3MAPK1
SCHEMBL23876180 0.78 KMT2A (0.50) ALDH1A1LMNAPTPN1PTPRCSLC6A3

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