SCHEMBL9856033

SCHEMBL9856033

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38

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
SCHEMBL9856371 0.85 ACACB (0.45) ACACBLMNATP53SMN1; SMN2NPC1
SCHEMBL9856638 0.85 ACACB (0.45) ACACBLMNATP53SMN1; SMN2NPC1
SCHEMBL9856151 0.85 ACACB (0.45) ACACBLMNATP53SMN1; SMN2NPC1
SCHEMBL9856572 0.84 ACACB (0.47) ACACBLMNATP53SMN1; SMN2NPC1
SCHEMBL9856665 0.83 ACACB (0.49) ACACBLMNATP53SMN1; SMN2NPC1
SCHEMBL9856401 0.80 L3MBTL1 (0.46) ACACBLMNATP53SMN1; SMN2NPC1
SCHEMBL28904086 0.79 MEN1 (0.59) LMNATP53SMN1; SMN2NPC1TSHR
SCHEMBL28232829 0.79 LMNA (0.46) LMNATP53SMN1; SMN2NPC1TSHR
SCHEMBL27982971 0.79 RAB9A (0.62) LMNATP53SMN1; SMN2NPC1TSHR
SCHEMBL28191611 0.77 ALDH1A1 (0.47) LMNATP53SMN1; SMN2NPC1TSHR

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