SCHEMBL7417878

SCHEMBL7417878

CCOC(=O)N(CCc1csc(-c2ccccc2)n1)C(CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.43
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
CTSK P43235 1/20 0.40

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
SCHEMBL7428677 0.94 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL1655299 0.87 ATM (0.46) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL7421943 0.87 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL7427243 0.82 PPARA (0.45) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL7425245 0.80 HSD17B10 (0.39) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL7426729 0.77 TP53 (0.39) RAB9ASMN1; SMN2TP53MAPTLMNA
SCHEMBL7420766 0.75 ALDH1A1 (0.47) SMN1; SMN2TP53MAPTLMNAALDH1A1
SCHEMBL7422281 0.74 SHMT1 (0.39) TP53MAPTLMNAL3MBTL1
SCHEMBL5870340 0.73 MAPT (0.47) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL8256609 0.73 LMNA (0.43) RAB9ANPC1SMN1; SMN2TP53TSHR

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed