SCHEMBL11273241

SCHEMBL11273241

CCOC(=O)c1c2cc3ccccc3cc2c(C(=O)OCC)n1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.49
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 3/20 0.45
HCRTR1 O43613 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 2/20 0.42
CDC25B P30305 2/20 0.42

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
SCHEMBL12490981 0.77 NOD2 (0.55) GRK6SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11338215 0.72 TSHR (0.63) MAPTRAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL30995157 0.72 NOD2 (0.53) GRK6SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8927648 0.70 TSHR (0.70) MAPTRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL29389855 0.70 TSHR (0.70) MAPTRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL11273243 0.69 KMT2A (0.42) MAPTRAB9AMAPK1ALDH1A1KMT2A
SCHEMBL31505722 0.69 NOD2 (0.50) GRK6SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL15642774 0.69 NOD2 (0.50) GRK6SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL571295 0.69 CA12 (0.59) MAPTRAB9ASMN1; SMN2HCRTR1ALDH1A1
SCHEMBL30684671 0.69 CA12 (0.59) MAPTRAB9ASMN1; SMN2HCRTR1ALDH1A1

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-4351842-A N-Cyclopropylisoindolines GLAXO LABORATORIES LIMITED (GB) 1982-09-28 US disclosed