SCHEMBL11512604

SCHEMBL11512604

CC(C)(O)NCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.40
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39
EGLN1 Q9GZT9 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KDM5C P41229 3/20 0.39
PHF8 Q9UPP1 3/20 0.39
KDM2A Q9Y2K7 3/20 0.39
KDM6B O15054 2/20 0.39
FOLH1 Q04609 1/20 0.39
LMNA P02545 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL10800659 0.85 ADRA1A (0.40) ADRA1AHMGCRCHRM1TBXA2RNAALAD2
SCHEMBL1983625 0.82 LMNA (0.40) ADRA1AHMGCRCHRM1TBXA2RNAALAD2
Hydrochloric Acid SCHEMBL2653260 0.80 NAALAD2 (0.39) ADRA1AHMGCRCHRM1TBXA2RNAALAD2
SCHEMBL12986940 0.80 ALDH1A1 (0.43) EGLN1KDM4EKDM5CPHF8KDM2A
SCHEMBL7566798 0.77 LMNA (0.40) ADRA1AEGLN1KDM4EKDM5CPHF8
SCHEMBL12227932 0.76 NAALAD2 (0.36) ADRA1AHMGCRCHRM1TBXA2RNAALAD2
SCHEMBL12227731 0.76 EGLN1 (0.41) ADRA1ANAALAD2EGLN1KDM4EKDM5C
SCHEMBL25547365 0.76 FFAR3 (0.40) NAALAD2EGLN1LMNAALKBH5SUCNR1
SCHEMBL10799064 0.76
SCHEMBL9065250 0.75 POLB (0.39) ADRA1ANAALAD2EGLN1KDM4EKDM5C

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
US-4171424-A Polyesters containing units derived from metal salts of N-hydroxyalkylated branched α-aminoacids CIBA-GEIGY CORPORATION (US) 1979-10-16 US disclosed
US-4093639-A HEAT RESISTANCE CIBA-GEIGY CORPORATION (US) 1978-06-06 US disclosed