SCHEMBL4409378

SCHEMBL4409378

C[C@](CN)(CC(=O)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.41
TET2 Q6N021 1/20 0.34
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OR51E2 Q9H255 1/20 0.31

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
SCHEMBL11305042 0.81 CYP2C19 (0.71) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL1370276 0.80
SCHEMBL4902244 0.73
SCHEMBL28180624 0.73
SCHEMBL12404473 0.71
SCHEMBL27770098 0.70 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL28113103 0.70 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL4905241 0.70 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL3697055 0.69 HMGCR (0.41) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL126086 0.69 TET2 (0.60) TSHRCYP2D6CYP2C19HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635572-B2 Methods for conducting assays for enzyme activity on protein microarrays Life Technologies Corporation (US) 2009-12-22 US disclosed
US-20050118665-A1 Methods for conducting assays for enzyme activity on protein microarrays PROTOMETRIX, INC. 2005-06-02 US disclosed