SCHEMBL10428697

SCHEMBL10428697

CC=C(C(=O)OCC)C(=O)C(C)Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 6/20 0.42
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 2/20 0.37
GAA P10253 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLIN1 O60240 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL10428696 1.00 NPSR1 (0.47) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL114311 0.81 ALDH1A1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1942274 0.79 NPSR1 (0.62) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL13269051 0.79 NPSR1 (0.62) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL16692406 0.78 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL12953137 0.78 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
Bromide SCHEMBL112647 0.78 ALDH1A1 (0.39) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
Bromide SCHEMBL112648 0.78 ALDH1A1 (0.39) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL112649 0.76 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14934932 0.74 ALDH1A1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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-4943568-A Cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed
EP-0223184-A2 Cephalosporins, process for their preparation and their use as medicaments BAYER AG (DE) 1987-05-27 EP disclosed