SCHEMBL8634355

SCHEMBL8634355

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC6A2 P23975 1/20 0.32

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
SCHEMBL8634358 1.00 GNAI3 (0.35) GNAI3GNAO1GNAI1OPRM1SLC6A1
SCHEMBL8632629 0.84 SLC6A1 (0.36) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL8632890 0.84 SLC6A1 (0.36) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL8632633 0.84 SLC6A1 (0.36) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL27394367 0.82 GABRA5 (0.44) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL16790153 0.80 CYP4F2 (0.47) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL8630448 0.79 SLC6A2 (0.38) OPRM1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL8630445 0.79 SLC6A2 (0.38) OPRM1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL9891008 0.77 GNAI3 (0.36) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL8631686 0.76 KDM4E (0.44) PKM

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 5 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
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed