SCHEMBL6258992

SCHEMBL6258992

CCC(=O)C(O)(Cc1ccc(C)cc1)c1ccc(N2CCOCC2)cc1.CCC(=O)C(O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SLC13A5 Q86YT5 1/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 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
SCHEMBL5635160 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL14368114 0.80 SMN1; SMN2 (0.51) ALDH1A1RAB9APKML3MBTL1MAPT
SCHEMBL5634622 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL6258995 0.78 RAB9A (0.42) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL29084011 0.68 NPC1 (0.49) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL5513880 0.68 ACHE (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28456821 0.68 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9AMAPK1
SCHEMBL16681849 0.67 NPC1 (0.52) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL19336124 0.67 NPC1 (0.50) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL23094063 0.67 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9ATP53

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-1556365-A1 IMPROVEMENT IN THE STORAGE STABILITY OF PHOTOINITIATORS Ciba SC Holding AG (CH) 2005-07-27 EP disclosed
WO-2004037799-A1 IMPROVEMENT IN THE STORAGE STABILITY OF PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-05-06 WO disclosed