SCHEMBL13765196

SCHEMBL13765196

CC(C)CC(ON1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPT P10636 9/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PTPRC P08575 2/20 0.38
MAPK1 P28482 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 5/20 0.36
POLB P06746 4/20 0.36
RECQL P46063 2/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL13790082 1.00 ELANE (0.41) ELANEPLA2G1BATG4BMAPTTP53
SCHEMBL24307918 0.86 PLA2G1B (0.39) PLA2G1BATG4BMAPTALDH1A1PTPRC
SCHEMBL9594137 0.86 ALDH1A1 (0.40) PLA2G1BATG4BMAPTALDH1A1PTPRC
SCHEMBL13765053 0.83 ALDH1A1 (0.45) MAPTALDH1A1KMT2AATMCYP1A2
SCHEMBL29850460 0.82 LMNA (0.39) PLA2G1BATG4BMAPTALDH1A1PTPRC
SCHEMBL10851634 0.82 LMNA (0.39) PLA2G1BATG4BMAPTALDH1A1PTPRC
SCHEMBL17093931 0.82 LMNA (0.39) PLA2G1BATG4BMAPTALDH1A1PTPRC
SCHEMBL13765185 0.82 ELANE (0.46) ELANEPLA2G1BATG4BMAPTTP53
SCHEMBL13764941 0.82 LMNA (0.39) PLA2G1BATG4BMAPTALDH1A1PTPRC
SCHEMBL29850667 0.81 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2ACYP1A2CYP2C9

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
EP-2231137-B1 METHOD OF MODULATING MEMBRANE POTENTIAL OF A CELL VERSITECH LTD (CN) 2017-01-25 EP disclosed
WO-2009089680-A1 METHOD OF MODULATING MEMBRANE POTENTIAL OF A CELL YANG DAN (CN) 2009-07-23 WO disclosed