SCHEMBL8048415

SCHEMBL8048415

CCCCC(C=O)CC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CA2 P00918 4/20 0.44
CA1 P00915 2/20 0.44
SLC15A1 P46059 1/20 0.38
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 4/20 0.37
MAPK1 P28482 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CNR1 P21554 1/20 0.35
DPP7 Q9UHL4 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
SCHEMBL11850566 0.92 TSHR (0.48) TSHRSMN1; SMN2CA2MEN1FAAH
SCHEMBL7338718 0.92 TSHR (0.48) TSHRSMN1; SMN2CA2MEN1FAAH
SCHEMBL8012001 0.88 TSHR (0.40) TSHRSMN1; SMN2CA2CA1MEN1
SCHEMBL1105438 0.82 CA2 (0.42) TSHRSMN1; SMN2CA2CA1SLC15A1
SCHEMBL14981014 0.82 TSHR (0.59) TSHRSMN1; SMN2CA2MEN1KMT2A
SCHEMBL8011737 0.79
SCHEMBL348615 0.78 TSHR (0.80) TSHRSMN1; SMN2CA2CA1CYP3A4
SCHEMBL21008678 0.77 TSHR (0.53) TSHRSMN1; SMN2CA2CA1
SCHEMBL22268950 0.77 TSHR (0.53) TSHRSMN1; SMN2CA2CA1SLC15A1
SCHEMBL19439578 0.77 TSHR (0.53) TSHRSMN1; SMN2CA2CA1SLC15A1

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
EP-0788479-B1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2000-04-19 EP disclosed
EP-0939078-A2 Substituted phthalimido-cinnamic acid derivatives with herbicidal activity BASF AKTIENGESELLSCHAFT (DE) 1999-09-01 EP disclosed
US-5807807-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5707937-A AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS BASF AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0788479-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1997-08-13 EP disclosed
WO-1996014298-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1996-05-17 WO disclosed