SCHEMBL8741050

SCHEMBL8741050

C/C=C/CN(CC=O)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 2/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
NR1I2 O75469 1/20 0.30
PGR P06401 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
PTGS2 P35354 1/20 0.30
PDE4D Q08499 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8741051 1.00 MAPT (0.35) MAPTALDH1A1LMNAHSD17B10ALOX15
SCHEMBL9473687 0.84 MAPT (0.34) MAPTALDH1A1LMNAHSD17B10
SCHEMBL9473689 0.84 MAPT (0.34) MAPTALDH1A1LMNAHSD17B10
SCHEMBL9473792 0.83 MAPT (0.51) MAPTALDH1A1LMNA
SCHEMBL9473797 0.83 MAPT (0.51) MAPTALDH1A1LMNA
SCHEMBL9474020 0.81 TSHR (0.30)
SCHEMBL9474030 0.81 TSHR (0.30)
SCHEMBL649921 0.80 ALDH1A1 (0.42) MAPTALDH1A1LMNAHSD17B10ALOX15
SCHEMBL8741071 0.77
SCHEMBL8741072 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5241076-A 1,4-diazatricyclo [6.3.0.0]undecanes BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5177210-A Preparation of 2,7-diazabicyclo(3.3.0)octanes BAYER AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
US-5071999-A Preparation of 2,7-diazabicyclo[3.3.0]octanes BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed