SCHEMBL6258995

SCHEMBL6258995

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.40
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL6258992 0.78 ALDH1A1 (0.41) RAB9ANPC1TP53PKMMAPK1
SCHEMBL5634622 0.74 ALDH1A1 (0.48) RAB9ANPC1TP53MAPK1MAPT
SCHEMBL5635160 0.70 ALDH1A1 (0.48) RAB9ANPC1TP53PKMMAPK1
SCHEMBL28456821 0.65 ALDH1A1 (0.51) RAB9ANPC1MAPK1MAPTSMN1; SMN2
SCHEMBL23053215 0.64 ALDH1A1 (0.49) RAB9ANPC1PKMMAPK1MAPT
SCHEMBL11061699 0.64 ALDH1A1 (0.49) RAB9ANPC1PKMMAPK1MAPT
SCHEMBL23094063 0.64 ALDH1A1 (0.47) RAB9ANPC1TP53MAPK1MAPT
SCHEMBL12592316 0.63 AKR1C3 (0.52) RAB9ANPC1TP53PKMMAPK1
SCHEMBL82183 0.63 MAPT (0.67) RAB9ANPC1TP53PKMMAPK1
SCHEMBL24921231 0.62 NPC1 (0.54) RAB9ANPC1TP53PKMMAPK1

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