SCHEMBL11213637

SCHEMBL11213637

N#Cc1ccc(CC(=O)O)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.41
HTT P42858 1/20 0.40
RXRA P19793 2/20 0.39
RXRG P48443 2/20 0.39
RXRB P28702 1/20 0.39
CTBP2 P56545 1/20 0.39
MMP2 P08253 1/20 0.38
LMNA P02545 1/20 0.38
KMO O15229 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
AKR1B1 P15121 1/20 0.37
GSK3B P49841 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL23081552 0.87 FFAR1 (0.40) FFAR1FFAR4PTGDR2CTBP2LMNA
SCHEMBL25908752 0.84 AKR1B1 (0.47) FFAR1FFAR4PTGDR2HTTCTBP2
SCHEMBL3017976 0.81 MEN1 (0.41) FFAR1FFAR4PTGDR2HTTRXRA
SCHEMBL29155384 0.81 KDM4E (0.41) FFAR1FFAR4PTGDR2HTTRXRA
SCHEMBL30291240 0.81 MEN1 (0.41) FFAR1FFAR4PTGDR2HTTRXRA
SCHEMBL14660970 0.81 ALDH1A1 (0.50) FFAR1PTGDR2HTT
SCHEMBL18471266 0.81 TSHR (0.46) FFAR1FFAR4PTGDR2RXRARXRG
SCHEMBL22229451 0.81 RXRA (0.38) PTGDR2RXRARXRGRXRBLMNA
SCHEMBL20844673 0.81 RXRA (0.48) FFAR1FFAR4PTGDR2HTTRXRA
SCHEMBL15825033 0.81 KDM4E (0.42) PTGDR2RXRARXRGRXRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US disclosed