SCHEMBL8230865

SCHEMBL8230865

CSCC(C)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
RNPEP Q9H4A4 1/20 0.30
TET2 Q6N021 1/20 0.30

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
SCHEMBL163891 0.78
SCHEMBL16222627 0.76 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL7281359 0.74
SCHEMBL28134954 0.74
SCHEMBL7281364 0.74
SCHEMBL13423607 0.72 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL4349265 0.71 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL18627109 0.70
SCHEMBL161253 0.69 MEN1 (0.31) ALDH1A1
SCHEMBL580509 0.67 TSHR (0.44) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO disclosed