SCHEMBL10363647

SCHEMBL10363647

CC(C(=O)O)C(=O)c1ccccc1.CC(C)Cc1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
PABPC1 P11940 1/20 0.45
ACACB O00763 1/20 0.44
CYP3A4 P08684 1/20 0.44
HDAC3 O15379 2/20 0.43
CCR1 P32246 1/20 0.43
PDE6D O43924 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
PLK1 P53350 1/20 0.42
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
FCER2 P06734 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL113636 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ACACBHDAC3HTT
SCHEMBL29873370 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2ACACBHDAC3HTT
SCHEMBL5783367 0.75 PKM (0.55) ALDH1A1SMN1; SMN2LMNAACACBHDAC3
SCHEMBL21690018 0.75 PKM (0.55) ALDH1A1SMN1; SMN2LMNAACACBHDAC3
SCHEMBL2297609 0.75 PKM (0.55) ALDH1A1SMN1; SMN2LMNAACACBHDAC3
SCHEMBL31711179 0.75 PKM (0.55) ALDH1A1SMN1; SMN2LMNAACACBHDAC3
SCHEMBL25355987 0.74 PLK1 (0.50) ALDH1A1SMN1; SMN2LMNAPABPC1ACACB
SCHEMBL31688796 0.74 PLK1 (0.50) ALDH1A1SMN1; SMN2LMNAPABPC1ACACB
SCHEMBL25355989 0.74 PLK1 (0.50) ALDH1A1SMN1; SMN2LMNAPABPC1ACACB
SCHEMBL934232 0.74 FCER2 (0.53) ALDH1A1SMN1; SMN2LMNAACACBCYP3A4

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-4908349-A Tetrahydronaphthalene aldehyde compound GIVAUDAN CORPORATION (US) 1990-03-13 US disclosed