SCHEMBL7448019

SCHEMBL7448019

O=C(O)CCC#CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.57
FFAR4 Q5NUL3 4/20 0.57
KEAP1 Q14145 1/20 0.52
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 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
SCHEMBL11135874 0.89 SMN1; SMN2 (0.55) FFAR1FFAR4KEAP1HDAC3MAPK1
SCHEMBL11142207 0.87 SMN1; SMN2 (0.53) FFAR1FFAR4KEAP1HDAC3MAPK1
SCHEMBL7916098 0.85 ALDH1A1 (0.55) FFAR1FFAR4KEAP1HDAC3MAPK1
SCHEMBL15065969 0.83 FFAR1 (0.45) FFAR1FFAR4MAPT
SCHEMBL8335434 0.83 FFAR1 (0.45) FFAR1FFAR4KEAP1HDAC3MAPK1
SCHEMBL11137418 0.79 FFAR1 (0.54) FFAR1FFAR4HDAC3MAPK1ADRA1A
SCHEMBL561059 0.78 FFAR1 (0.62) FFAR1FFAR4CYP2C19
SCHEMBL16050096 0.78 AKR1B1 (0.71) FFAR1FFAR4AKR1B1
SCHEMBL3888886 0.78 CALM1 (0.50) FFAR1FFAR4SMN1; SMN2CYP2C19
SCHEMBL6722156 0.77 TDP1 (0.46) FFAR1FFAR4MAPTAKR1B1CYP2C19

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-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed