SCHEMBL8632629

SCHEMBL8632629

COC(=O)[C@@](O)(CCC1CCNCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
ALOX15 P16050 1/20 0.36
ITGB3 P05106 9/20 0.35
ITGA2B P08514 9/20 0.35
F2R P25116 4/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
HTR4 Q13639 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL8632890 1.00 SLC6A1 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8632633 1.00 SLC6A1 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8634358 0.84 GNAI3 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8634355 0.84 GNAI3 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27394367 0.84 GABRA5 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8783013 0.84 KMT2A (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8632603 0.84 KMT2A (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8632607 0.84 KMT2A (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL8630472 0.79 FDPS (0.34) ALOX15SMN1; SMN2
SCHEMBL8636632 0.79 FDPS (0.34) ALOX15SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed