SCHEMBL14385404

SCHEMBL14385404

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.43
CYP2C19 P33261 3/20 0.41
GABRR1 P24046 1/20 0.41
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 3/20 0.39
ALOX15 P16050 3/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
TSHR P16473 2/20 0.38
PMP22 Q01453 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL14389448 1.00 APLNR (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL611944 1.00 APLNR (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3227696 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3489123 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL21703887 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3057990 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL3057992 0.90 CYP2C19 (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL19506522 0.84 GABRR1 (0.46) APLNRCYP2C19GABRR1CYP1A2ALOX15
SCHEMBL19506520 0.82 APLNR (0.41) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL6943949 0.80 APLNR (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2

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
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 WO disclosed