SCHEMBL5822796

SCHEMBL5822796

Cc1ccc2[nH]c(C(=O)NC(CC(C)C)C(=O)O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TP53 P04637 2/20 0.55
POLB P06746 1/20 0.55
PIN1 Q13526 1/20 0.55
PYGL P06737 4/20 0.53
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPK1 P28482 1/20 0.50
CTNNB1 P35222 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL701278 0.88 TAS1R3 (0.75) TAS1R3TAS1R1TP53POLBPIN1
SCHEMBL701279 0.88 TAS1R3 (0.75) TAS1R3TAS1R1TP53POLBPIN1
SCHEMBL25517392 0.85 TAS1R3 (0.78) TAS1R3TAS1R1PYGLALBIL2
SCHEMBL20853657 0.85 TAS1R3 (0.78) TAS1R3TAS1R1PYGLALBIL2
SCHEMBL25197064 0.85 TAS1R3 (0.78) TAS1R3TAS1R1PYGLALBIL2
SCHEMBL6163462 0.83 PYGL (0.76) PYGL
SCHEMBL6163466 0.83 PYGL (0.76) PYGL
SCHEMBL14845690 0.82 PIN1 (0.62) TP53POLBPIN1RAB9AKDM4E
SCHEMBL24197011 0.78 HDAC2 (0.58) TP53POLBPIN1PYGLRAB9A
SCHEMBL7426014 0.78 KDM4E (0.61) TAS1R3TAS1R1PYGLRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP disclosed
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 WO disclosed