SCHEMBL22273545

SCHEMBL22273545

NC(CCCCC(=O)OCc1ccccc1)(CCCCC(=O)OCc1ccccc1)CCCCC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
NOTUM Q6P988 1/20 0.42

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
SCHEMBL22273547 0.98 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1HTTEPHX2
SCHEMBL22273546 0.98 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1HTTEPHX2
SCHEMBL22273541 0.95 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1HTTEPHX2
SCHEMBL22273548 0.92 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1HTTEPHX2
SCHEMBL7742811 0.89 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1LMNA
SCHEMBL8492158 0.88 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1HTTEPHX2
SCHEMBL7248792 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1HTTEPHX2
SCHEMBL27541017 0.87 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1HTTEPHX2
SCHEMBL18673 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1HTTEPHX2
SCHEMBL27494515 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1HTTEPHX2

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
WO-2020068796-A9 POLYCARBONATE BLOCK COPOLYMERS AND METHODS THEREOF SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2020-07-30 WO disclosed