SCHEMBL5379680

SCHEMBL5379680

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.50
TAS1R1 Q7RTX1 4/20 0.50
TAS1R2 Q8TE23 3/20 0.50
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FPR1 P21462 7/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
MAPK14 Q16539 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34

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
SCHEMBL5379674 1.00 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2HPGDMEN1
SCHEMBL4175264 0.83 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2HPGDMEN1
SCHEMBL4166621 0.83 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2HPGDMEN1
SCHEMBL4169220 0.83 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2HPGDMEN1
SCHEMBL12248802 0.68 ALDH1A1 (0.40) HPGDMEN1KMT2ALMNAPOLB
SCHEMBL5273446 0.68 CYP3A4 (0.47) HPGDMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4178594 0.67 TAS1R3 (0.83) TAS1R3TAS1R1TAS1R2HPGDMEN1
SCHEMBL4176281 0.67 TAS1R3 (0.83) TAS1R3TAS1R1TAS1R2HPGDMEN1
SCHEMBL5752877 0.67 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2HPGDMEN1
SCHEMBL5924001 0.67 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2HPGDMEN1

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