SCHEMBL11522355

SCHEMBL11522355

CCCCCCCP(=O)(CCCCCCC)CCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.76
TSHR P16473 1/20 0.58
EPHX2 P34913 1/20 0.49
PKM P14618 1/20 0.49
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 1/20 0.46
ENPP2 Q13822 1/20 0.45

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
SCHEMBL11017500 1.00 CETP (0.76) CETPTSHREPHX2PKMKCNH2
SCHEMBL28869550 0.93 CETP (0.65) CETPTSHRSIGMAR1POLB
SCHEMBL2996280 0.84 CETP (0.58) CETPTSHREPHX2PKMKCNH2
SCHEMBL2991974 0.84 CETP (0.58) CETPTSHREPHX2PKMKCNH2
Toluene SCHEMBL28592797 0.81 CETP (0.56) CETPTSHREPHX2PKM
SCHEMBL28222444 0.79 CETP (0.53) CETPTSHREPHX2PKM
SCHEMBL2487370 0.79 CETP (0.87) CETPTSHRPOLB
Phosphoric Acid SCHEMBL2729778 0.78 CETP (0.60) CETPEPHX2PKMKCNH2SIGMAR1
Phosphoric Acid SCHEMBL2727688 0.78 CETP (0.70) CETPKCNH2ENPP2
Phosphoric Acid SCHEMBL2732109 0.78 CETP (0.70) CETPKCNH2ENPP2

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-4153809-A TRIHYDROCARBYLPHOSPHINE OXIDE AS THE EXTRACTION AGENT CHEVRON RESEARCH COMPANY (US) 1979-05-08 US disclosed