SCHEMBL5273446

SCHEMBL5273446

CSc1cc(C)c(C(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MCL1 Q07820 2/20 0.42
MAPT P10636 4/20 0.40
NOTUM Q6P988 1/20 0.39
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALB P02768 1/20 0.36

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
SCHEMBL5274116 0.86 KMT2A (0.48) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL12248802 0.82 ALDH1A1 (0.40) CYP3A4ALDH1A1MCL1POLBKMT2A
SCHEMBL23389797 0.76 MCL1 (0.41) CYP3A4ACHEMAPK1SMN1; SMN2MCL1
SCHEMBL11679602 0.76 MCL1 (0.41) ALDH1A1MAPK1SMN1; SMN2MCL1MAPT
SCHEMBL900744 0.75 CYP3A4 (0.54) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL21870 0.75 KDM4E (0.55) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL377596 0.75 KDM4E (0.55) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL2381033 0.75 GSK3B (0.38) ALDH1A1MAPK1MAPTPOLBKMT2A
SCHEMBL6916700 0.73 KDM4E (0.53) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL6915449 0.73 KDM4E (0.53) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203142-A Aromatic amides and ureas and their uses as sweet and/or delicate flavor modifiers, flavouring agents and taste enhancers SENOMYX INC (US) 2008-06-18 CN disclosed
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed