SCHEMBL19634437

SCHEMBL19634437

CN(C)CCCCCC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
LTA4H P09960 2/20 0.49
EGFR P00533 2/20 0.48
EPHX2 P34913 1/20 0.47
LMNA P02545 1/20 0.47
DNM1 Q05193 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL27629212 1.00 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SIGMAR1LTA4H
SCHEMBL247907 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SIGMAR1LTA4H
SCHEMBL5577016 0.94 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SIGMAR1LTA4H
Hydrochloric Acid SCHEMBL4310487 0.92 LTA4H (0.53) ALDH1A1MAPK1L3MBTL1LTA4HEGFR
SCHEMBL13407447 0.87 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LTA4HEGFR
SCHEMBL2926392 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL28600680 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL4941879 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL20624816 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL118235 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2LMNA

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-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed