SCHEMBL5404590

SCHEMBL5404590

CCCP(=O)(O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.76
TSHR P16473 1/20 0.63
FOLH1 Q04609 1/20 0.50
SRC P12931 1/20 0.45
PDPK1 O15530 1/20 0.45
MTOR P42345 1/20 0.45
ALPG P10696 1/20 0.45
PTK2B Q14289 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
Hydrochloric Acid SCHEMBL9576052 0.85 CETP (0.97) CETPTSHRFOLH1
SCHEMBL7631529 0.85 TSHR (0.68) CETPTSHRFOLH1SRCPDPK1
SCHEMBL6135587 0.85 TSHR (0.68) CETPTSHRFOLH1SRCPDPK1
Hydrochloric Acid SCHEMBL7372995 0.83 TSHR (0.66) CETPTSHRFOLH1SRCPDPK1
SCHEMBL5404588 0.83 CETP (0.58) CETPTSHR
SCHEMBL22402591 0.82 TSHR (0.70) CETPTSHRFOLH1SRCPDPK1
SCHEMBL4167079 0.82 CETP (0.62) CETPTSHRFOLH1SRCPDPK1
SCHEMBL10773191 0.81 CETP (0.74) CETPTSHRFOLH1HDAC1
Alcohol SCHEMBL6037288 0.79 TSHR (0.85) CETPTSHRFOLH1SRCPDPK1
SCHEMBL9621949 0.79 TSHR (0.66) CETPTSHRFOLH1SRCPDPK1

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
US-7291478-B1 Rapid screening and analysis of present and potential nerve agents and their degradation products THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2007-11-06 US disclosed