SCHEMBL6250554

SCHEMBL6250554

CCOCC(O)C/C=C(\C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL6250559 1.00 TSHR (0.36) TSHRALDH1A1KDM4EUSP2ALOX15
SCHEMBL3619334 0.87 ALDH1A1 (0.35) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL3619332 0.87 ALDH1A1 (0.35) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL8638825 0.83 USP2 (0.49) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL1260034 0.83 USP2 (0.49) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL2763358 0.81 MAPT (0.33) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL5050873 0.81 MAPT (0.33) ALDH1A1KDM4EUSP2ALOX15
SCHEMBL1093822 0.81 CA1 (0.47) ALDH1A1USP2
SCHEMBL5191537 0.81
SCHEMBL14717768 0.81 USP2 (0.53) ALDH1A1KDM4EUSP2ALOX15

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
EP-1564549-A1 Calibrating electrochemical sensors, especially pH electrodes Hamilton Bonaduz AG (CH) 2005-08-17 EP disclosed