SCHEMBL8534653

SCHEMBL8534653

CC(C#N)CC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.43
FOLH1 Q04609 2/20 0.43
ENPEP Q07075 2/20 0.43
GABRR1 P24046 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.36
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
BLM P54132 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL22306547 0.86 NAALAD2 (0.37) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL15092131 0.83 TSHR (0.37) NAALAD2FOLH1ENPEPTSHRRNPEP
SCHEMBL8613890 0.81 TSHR (0.36) TSHR
SCHEMBL10783632 0.81 NAALAD2 (0.43) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL9575752 0.77 TSHR (0.33) TSHR
SCHEMBL27996830 0.77 TSHR (0.33) GABRR1TSHRRNPEPSLC7A5TP53
SCHEMBL8961058 0.77 SLC7A5 (0.58) SLC7A5
SCHEMBL15669263 0.76 NAALAD2 (0.43) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL7314519 0.76 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL10938417 0.76 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834616-A REACTING 2-METHYLGLUTARIMIDE, ETHYLSUCCINIMIDE, AND PRECURSORS THEREOF IN VAPOR PHASE IN THE PRESENCE OF ACID CATALYST RHONE-POULENC FIBER & RESIN INTERMEDIATES (FR) 1998-11-10 US disclosed
EP-0730574-B1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS DU PONT (US) 1998-08-19 EP disclosed
US-5723641-A PHOSPHITE CATALYSTS FOR HYDROCYANATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-03 US disclosed
US-5688986-A CATALYTIC HYDROCYANATION OF NONCONJUGATED ACYCLIC ALIPHATIC MONOOLEFIN, MONOOLEFIN CONJUGATED TO ESTER OR MONOOLEFIN CONJUGATED TO CYANIDE IN THE PRESENCE OF NICKEL PHOSPHITE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-18 US disclosed
EP-0730574-A1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-11 EP disclosed
WO-1995014659-A1 PROCESSES AND CATALYST COMPOSITIONS FOR HYDROCYANATION OF MONOOLEFINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-06-01 WO disclosed