SCHEMBL13112976

SCHEMBL13112976

C=CCC(C(=O)O)C(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
CYP2C19 P33261 1/20 0.37
CPA1 P15085 1/20 0.37
MMP1 P03956 5/20 0.37
MMP2 P08253 5/20 0.37
MMP3 P08254 5/20 0.37
MMP7 P09237 3/20 0.37
MMP8 P22894 2/20 0.35
ADAM17 P78536 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31636 0.78 GRIK1 (0.48) GRIK1GRIK2CYP2C19CPA1ALDH1A1
SCHEMBL14554692 0.77 KMT2A (0.40) GRIK1GRIK2CPA1MMP1MMP2
Ammonia Solution, Strong SCHEMBL6396419 0.76 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ALDH1A1
Lithium SCHEMBL31299623 0.76 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ALDH1A1
Potassium SCHEMBL31299609 0.76 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ALDH1A1
SCHEMBL31299617 0.76 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1ALDH1A1
SCHEMBL3408865 0.76
Hydrochloric Acid SCHEMBL23834381 0.75 GRIK1 (0.67) GRIK1GRIK2
Hydrochloric Acid SCHEMBL23834383 0.75 GRIK1 (0.67) GRIK1GRIK2
SCHEMBL11227837 0.75 GRIK1 (0.42) GRIK1GRIK2CYP2C19CPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362106-B2 Decarboxylating block copolymers E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed
US-8362106-B2 Decarboxylating block copolymers E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed
US-20100273931-A1 DECARBOXYLATING BLOCK COPOLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US disclosed
WO-2009073702-A1 DECARBOXYLATING BLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-11 WO disclosed