SCHEMBL8615653

SCHEMBL8615653

COc1ccc(N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2C2COC(C)(C)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SOAT1 P35610 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1L1 Q9UHC9 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HRH1 P35367 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 1/20 0.40
CCR3 P51677 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 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
SCHEMBL8615656 1.00 L3MBTL1 (0.44) L3MBTL1SIGMAR1SOAT1MAPK1TDP1
SCHEMBL8871109 1.00 L3MBTL1 (0.44) L3MBTL1SIGMAR1SOAT1MAPK1TDP1
SCHEMBL8871117 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL4182608 0.80 HSD11B1 (0.39) L3MBTL1SIGMAR1SOAT1ALDH1A1MAPT
SCHEMBL9368035 0.79 L3MBTL1 (0.40) L3MBTL1MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL19433531 0.78 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL8759052 0.77 HSD11B1 (0.39) L3MBTL1SIGMAR1SOAT1ALDH1A1MAPT
SCHEMBL4170321 0.76 MMP1 (0.39) L3MBTL1MAPK1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL8616156 0.76 SIGMAR1 (0.51) SIGMAR1SOAT1MAPK1TDP1SMN1; SMN2
SCHEMBL8620049 0.76 HSD11B1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1

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-5716948-A 3-substituted carbacephems PFIZER INC. (US) 1998-02-10 US disclosed