SCHEMBL9721284

SCHEMBL9721284

O=C(O)[C@@H]1CC[C@@H](C(=O)O)[C@@H](C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.52
ACE P12821 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42

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
SCHEMBL28799 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL2019219 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL2019218 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL21664518 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL9249263 1.00 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1PLG
Hydrochloric Acid SCHEMBL28557936 0.97 GABRR1 (0.50) GABRR1ACEAKR1C3AKR1C1PLG
SCHEMBL16405082 0.89 GABRR1 (0.42) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL1963027 0.88 GABRR1 (0.58) GABRR1ACELMNAGABRPGABRD
Hydrochloric Acid SCHEMBL3795818 0.85 GABRR1 (0.55) GABRR1ACEAKR1C3AKR1C1LMNA
SCHEMBL21641650 0.85 GABRR1 (0.44) GABRR1ACEAKR1C3AKR1C1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145987-A Stereoselective carboyxlation THE DOW CHEMICAL COMPANY (US) 1992-09-08 US claimed
US-5145987-A Stereoselective carboyxlation THE DOW CHEMICAL COMPANY (US) 1992-09-08 US disclosed
US-5145987-A Stereoselective carboyxlation THE DOW CHEMICAL COMPANY (US) 1992-09-08 US disclosed
US-5145987-A Stereoselective carboyxlation THE DOW CHEMICAL COMPANY (US) 1992-09-08 US disclosed