SCHEMBL5753211

SCHEMBL5753211

CCCCCCCNC(=O)C=Cc1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.67
ZDHHC2 Q9UIJ5 1/20 0.55
HTT P42858 2/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
APP P05067 1/20 0.52
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL15854220 0.86 KMT2A (0.51) EGFRHTTMAPTRAB9AL3MBTL1
SCHEMBL10102731 0.85 POLB (0.58) EGFRMAPTRAB9AL3MBTL1HDAC3
SCHEMBL14490544 0.85 HDAC3 (0.55) EGFRRAB9AL3MBTL1HDAC3HDAC4
Hydrochloric Acid SCHEMBL17219701 0.85 KMT2A (0.50) EGFRHTTMAPTRAB9AL3MBTL1
Hydrochloric Acid SCHEMBL17219703 0.85 KMT2A (0.50) EGFRHTTMAPTRAB9AL3MBTL1
SCHEMBL8756757 0.85 EGFR (0.68) EGFRZDHHC2HTTMAPTAPP
SCHEMBL8756769 0.85 EGFR (0.68) EGFRZDHHC2HTTMAPTAPP
SCHEMBL8756763 0.85 EGFR (0.68) EGFRZDHHC2HTTMAPTAPP
SCHEMBL15854222 0.84 KDM4E (0.49) EGFRHTTMAPTRAB9AL3MBTL1
SCHEMBL11105977 0.84 EGFR (0.67) EGFRZDHHC2HTTMAPTAPP

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