SCHEMBL27394367

SCHEMBL27394367

O=C(O)C(O)(CCC1CCNCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.44
GABRB2 P47870 3/20 0.44
SLC6A1 P30531 2/20 0.44
SLC6A12 P48065 2/20 0.44
SLC6A11 P48066 2/20 0.44
SLC6A13 Q9NSD5 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRR1 P24046 1/20 0.44
CPN1 P15169 2/20 0.42
CPB2 Q96IY4 2/20 0.42
ITGB3 P05106 9/20 0.41
ITGA2B P08514 9/20 0.41
TSHR P16473 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL8632633 0.84 SLC6A1 (0.36) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL8632890 0.84 SLC6A1 (0.36) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL8632629 0.84 SLC6A1 (0.36) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL8634358 0.82 GNAI3 (0.35) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL8634355 0.82 GNAI3 (0.35) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL27480000 0.80 KMT2A (0.50) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL27796569 0.78 GABRA5 (0.47) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL954535 0.74 ITGB3 (0.56) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL27440920 0.73 GABRA5 (0.47) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL3159636 0.72 ITGB3 (0.54) GABRA5GABRB2SLC6A1SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed