SCHEMBL10538656

SCHEMBL10538656

CCCCCCCC/C=C\CCCCCCC(CN)C(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
FAAH O00519 5/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
SOAT1 P35610 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SPHK1 Q9NYA1 3/20 0.43
MAPT P10636 3/20 0.42
GMNN O75496 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 2/20 0.42
POLB P06746 2/20 0.42
THRB P10828 2/20 0.42
CETP P11597 2/20 0.42
MAPK1 P28482 2/20 0.42
CXCR5 P32302 2/20 0.42

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
SCHEMBL4018634 0.89 FFAR1 (0.49) MEN1KMT2AFAAHTP53CYP1A2
Bromide SCHEMBL6699079 0.81 SPHK1 (0.42) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL10526321 0.80 FFAR1 (0.55) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL4602415 0.80 FFAR1 (0.55) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL6535968 0.80 MEN1 (0.50) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL29131470 0.80 FFAR1 (0.55) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL4616055 0.80 FFAR1 (0.55) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL27987561 0.80 FFAR1 (0.55) MEN1KMT2AFAAHTP53CYP1A2
Bromide SCHEMBL31411114 0.80 MEN1 (0.42) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL8373798 0.79 MEN1 (0.53) MEN1KMT2AFAAHTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4812242-A REACTING AN ANHYDRIDE FUNCTIONALIZED LIQUID POLYMER WITH A CROSSLINKING AMOUNT OF AN ALKOXYLATED FATTY AMINE THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1989-03-14 US disclosed
EP-0168930-B1 METHOD OF ENCAPSULATING ORGANIC MATERIAL The British Petroleum Company p.l.c. (GB) 1988-03-09 EP disclosed
EP-0168930-A1 Method of encapsulating organic material The British Petroleum Company p.l.c. (GB) 1986-01-22 EP disclosed