SCHEMBL9716802

SCHEMBL9716802

CCCCOC(=O)N(C(=O)OCCCC)C(CCCN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
SLC1A3 P43003 1/20 0.35
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CPB2 Q96IY4 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ESR1 P03372 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9716798 1.00 ALDH1A1 (0.38) ALDH1A1ATMHCAR2SLC1A2SLC1A1
SCHEMBL9716610 0.95 GSR (0.39) ALDH1A1ATMHCAR2SLC1A2SLC1A1
SCHEMBL9716606 0.95 GSR (0.39) ALDH1A1ATMHCAR2SLC1A2SLC1A1
SCHEMBL16862534 0.93 ALDH1A1 (0.35) ALDH1A1ATMHCAR2SLC1A2SLC1A1
SCHEMBL3826716 0.87 ALDH1A1 (0.49) ALDH1A1TSHRITGB3ITGA2BCYP3A4
SCHEMBL9716642 0.86 CYP1A2 (0.42) ALDH1A1SLC1A2SLC1A1SLC1A3CPB2
SCHEMBL9716651 0.86 CYP1A2 (0.42) ALDH1A1SLC1A2SLC1A1SLC1A3CPB2
SCHEMBL9716597 0.81 CPB2 (0.46) ALDH1A1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL9716594 0.81 CPB2 (0.46) ALDH1A1SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL5422105 0.80 ALDH1A1 (0.41) ALDH1A1ATMHCAR2TSHRMAPT

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
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed