SCHEMBL9856572

SCHEMBL9856572

CCC(C)Oc1ccc(OCCOC(=O)NC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.40
MAPT P10636 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
SCHEMBL9856665 0.90 ACACB (0.49) ACACBSMN1; SMN2MAPK1LMNATP53
SCHEMBL9856151 0.87 ACACB (0.45) ACACBSMN1; SMN2MAPK1LMNATP53
SCHEMBL9856371 0.87 ACACB (0.45) ACACBSMN1; SMN2MAPK1LMNATP53
SCHEMBL9856638 0.87 ACACB (0.45) ACACBSMN1; SMN2MAPK1LMNATP53
SCHEMBL9856033 0.84 ACACB (0.43) ACACBSMN1; SMN2MAPK1LMNATP53
SCHEMBL9856607 0.83 ACACB (0.42) ACACBSMN1; SMN2MAPK1GAAHRH3
SCHEMBL9856401 0.82 L3MBTL1 (0.46) ACACBSMN1; SMN2LMNATP53HRH3
SCHEMBL9856629 0.80 SMN1; SMN2 (0.43) ACACBSMN1; SMN2MAPK1LMNATP53
SCHEMBL9856673 0.78 MAPT (0.49) ACACBSMN1; SMN2MAPK1TAS1R3TAS1R1
SCHEMBL9856531 0.78 KMT2A (0.45) ACACBHRH3TSHRMAPT

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US claimed