SCHEMBL6542917

SCHEMBL6542917

O=C(O)C1C[C@H](C(=O)O)C[C@@H](C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
GABRR1 P24046 1/20 0.50
CYP2D6 P10635 3/20 0.46
CYP1A2 P05177 3/20 0.46
ALOX15 P16050 3/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TSHR P16473 2/20 0.45
PMP22 Q01453 2/20 0.45
APLNR P35414 1/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL8204743 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL2038877 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL326061 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL5349667 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL19902117 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL23366184 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL375124 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
Hydrochloric Acid SCHEMBL4380992 0.96 CYP2C19 (0.47) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
Hydrochloric Acid SCHEMBL2385417 0.96 CYP2C19 (0.47) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
Bromide SCHEMBL29077840 0.96 CYP2C19 (0.47) CYP2C19GABRR1CYP2D6CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730242-B2 EFFICIENCY THE UNIVERSITY OF ROCHESTER 2004-05-04 US disclosed
US-20030164473-A1 Glass-forming liquid crystalline compositions and optical devices formed therefrom NATIONAL SCIENCE FOUNDATION 2003-09-04 US disclosed
US-6558572-B2 Optical device UNIVERSITY OF ROCHESTER 2003-05-06 US disclosed
US-20010036517-A1 Glass-forming liquid crystalline compositions and optical devices formed therefrom NATIONAL SCIENCE FOUNDATION 2001-11-01 US disclosed
EP-0587610-A1 SPECIFICALLY BETA-BETA CROSS-LINKED HEMOGLOBINS AND METHOD OF PREPARATION THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1994-03-23 EP disclosed
US-5250665-A Artificial blood THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1993-10-05 US disclosed
WO-1992021702-A1 SPECIFICALLY BETA-BETA CROSS-LINKED HEMOGLOBINS AND METHOD OF PREPARATION THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1992-12-10 WO disclosed