SCHEMBL5501416

SCHEMBL5501416

COc1ccc(CNc2cc(C)ccc2C)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
MAPT P10636 3/20 0.58
GAA P10253 5/20 0.57
TSHR P16473 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 3/20 0.47
ALOX15 P16050 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
ALOX12 P18054 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3412404 0.87 ALDH1A1 (0.74) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL5518455 0.84 MAPT (0.56) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL14886127 0.81 ALDH1A1 (0.65) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL16294684 0.80 ALDH1A1 (0.65) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL5523242 0.78 KMT2A (0.51) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL14099552 0.76 ALDH1A1 (0.45) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL5514795 0.75 L3MBTL1 (0.57) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL5996870 0.74 SHMT2 (0.51) ALDH1A1LMNAMAPTGAATSHR
SCHEMBL3568122 0.74 TUBB4A (0.60) LMNAGAATSHRTRPV1ALOX15
SCHEMBL2711213 0.74 MAPT (0.68) ALDH1A1MAPTGAATSHRL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1855548-A2 MOLECULES COMPRISING LINKED ORGANIC MOIETIES AS FLAVOR MODIFIERS FOR COMESTIBLES COMPOSITIONS Senomyx, Inc. (US) 2007-11-21 EP disclosed
US-20060257543-A1 Molecules comprising linked organic moieties as flavor modifiers for comestible compositions SENOMYX, INC. 2006-11-16 US disclosed
WO-2006084184-A2 MOLECULES COMPRISING LINKED ORGANIC MOIETIES AS FLAVOR MODIFIERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2006-08-10 WO disclosed