SCHEMBL9856629

SCHEMBL9856629

CCC(C)Sc1ccc(OCCOC(=O)NC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
ACACB O00763 1/20 0.40
PPARG P37231 4/20 0.40
ALOX5 P09917 3/20 0.40
PPARA Q07869 3/20 0.40
GAA P10253 2/20 0.40
PTGES O14684 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 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
SCHEMBL9856104 0.87 LMNA (0.40) SMN1; SMN2MAPK1LMNATP53PPARG
SCHEMBL9856572 0.80 ACACB (0.47) SMN1; SMN2MAPK1LMNATP53ACACB
SCHEMBL9856511 0.79 L3MBTL1 (0.47) SMN1; SMN2MAPK1ACACBPPARGALOX5
SCHEMBL9855896 0.77 L3MBTL1 (0.41) SMN1; SMN2LMNAPPARGALOX5PPARA
SCHEMBL9268024 0.76 NR1I2 (0.49) SMN1; SMN2MAPK1LMNAPPARGALOX5
SCHEMBL10789684 0.76 LTA4H (0.44) SMN1; SMN2MAPK1PPARGALOX5PPARA
SCHEMBL10800490 0.76 PPARG (0.35) SMN1; SMN2LMNATP53PPARGALOX5
SCHEMBL9856458 0.75 MTNR1A (0.43) SMN1; SMN2MAPK1LMNAPPARGALOX5
SCHEMBL9856510 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1LMNAACACBGAA
SCHEMBL10800486 0.75 PPARG (0.37) PPARGALOX5PPARAPTGESMEN1

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