SCHEMBL12038239

SCHEMBL12038239

COC(=O)c1ccc(C(=O)NC2CCCC2)c2c(C(=O)O)ccc(C(=O)NC3CCCC3)c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL14823391 0.94 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL822571 0.89 GAA (0.55) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL12021895 0.89 GAA (0.55) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL5053780 0.89 GAA (0.55) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL14823395 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL2159871 0.88 NPC1 (0.57) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL823228 0.88 NPC1 (0.57) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL12021902 0.88 NPC1 (0.57) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL14802329 0.84 RAB9A (0.56) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL822757 0.84 GAA (0.50) ALDH1A1KDM4EHPGDRAB9ANPC1

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-20110294257-A1 METHODS OF PROVIDING SEMICONDUCTOR LAYERS FROM AMIC ACID SALTS KODAK AMERICAS LTD. 2011-12-01 US disclosed