SCHEMBL6061540

SCHEMBL6061540

O=C(O)CP(C1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
BBOX1 O75936 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
EPHX2 P34913 2/20 0.32
EPHX1 P07099 5/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
MMP2 P08253 3/20 0.30
CA12 O43570 2/20 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
SCHEMBL11243663 0.81 ALDH1A1 (0.36) ALDH1A1CES2CES1LMNACYP2D6
SCHEMBL4222186 0.77 ALDH1A1 (0.42) ALDH1A1CES2CES1LMNAEGLN1
SCHEMBL10962573 0.74 ALDH1A1 (0.44) ALDH1A1LMNAEPHX2EPHX1SMN1; SMN2
SCHEMBL28059164 0.73 KDM4E (0.44) ALDH1A1CES1LMNARAB9ASMN1; SMN2
SCHEMBL27434018 0.71 ALDH1A1 (0.38) ALDH1A1LMNAEPHX2EPHX1
SCHEMBL7592303 0.69 ADH1C (0.30)
SCHEMBL7067497 0.69
SCHEMBL11056844 0.68 ALDH1A1 (0.42) ALDH1A1CES2CES1LMNAEGLN1
SCHEMBL301349 0.68
SCHEMBL17585038 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5180848-A Synthesis of phosphinoacetic acids PHILLIPS PETROLEUM COMPANY (US) 1993-01-19 US claimed
US-5157153-A Reacting alkyl ethynyl ether or monohaloacetaldehyde acetal with alkali metal base, then with halodihydrocarbylphosphine; adding mineral acid, hydrolyzing PHILLIPS PETROLEUM COMPANY (US) 1992-10-20 US claimed
EP-1373171-B1 PRODUCTION OF OLEFIN DIMERS AND OLIGOMERS EXXONMOBIL CHEM PATENTS INC (US) 2006-08-16 EP disclosed
US-6770791-B2 CONTACTING OXYGENATE WITH SILICOALUMINOPHOSPHATE MOLECULAR SIEVE CATALYST TO FORM OLEFIN PRODUCT, SEPARATING PROPYLENE, BUTYLENE OR PENTYLENE CONTAINING OLEFIN STREAM, CONTACTING WITH NICKEL BASED OLIGOMERIZATION CATALYST TO FORM PRODUCT EXXONMOBIL CHEMICAL PATENTS INC. 2004-08-03 US disclosed
EP-1373171-A1 PRODUCTION OF OLEFIN DIMERS AND OLIGOMERS ExxonMobil Chemical Patents Inc. (US) 2004-01-02 EP disclosed
US-20030225307-A1 Production of olefin dimers and oligomers MATHYS GEORGES (BE) 2003-12-04 US disclosed
WO-2002060843-A1 PRODUCTION OF OLEFIN DIMERS AND OLIGOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-08-08 WO disclosed
US-20020103406-A1 Production of olefin dimers and oligomers EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-01 US disclosed
US-5180848-A Synthesis of phosphinoacetic acids PHILLIPS PETROLEUM COMPANY (US) 1993-01-19 US disclosed
US-5157153-A Reacting alkyl ethynyl ether or monohaloacetaldehyde acetal with alkali metal base, then with halodihydrocarbylphosphine; adding mineral acid, hydrolyzing PHILLIPS PETROLEUM COMPANY (US) 1992-10-20 US disclosed