SCHEMBL806954

SCHEMBL806954

CC(OP(=O)(Oc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
ELANE P08246 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
ANPEP P15144 2/20 0.42
LAP3 P28838 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.39
PLAU P00749 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10148833 0.89 PLAU (0.43) SRCELANEANPEPLAP3KMT2A
SCHEMBL27944193 0.82 L3MBTL1 (0.50) SRCELANEANPEPLAP3KMT2A
SCHEMBL1727266 0.82 SRC (0.52) SRCELANEANPEPLAP3KMT2A
SCHEMBL27537974 0.81 POLB (0.50) SRCCYP1A2GAACYP2C9PKM
SCHEMBL16409699 0.78 ANPEP (0.43) SRCELANECYP1A2GAACYP2C9
SCHEMBL11281739 0.74 SRC (0.54) SRCELANEANPEPLAP3KMT2A
SCHEMBL29012567 0.74 SRC (0.48) SRCELANEANPEPLAP3KMT2A
SCHEMBL5958828 0.72 SRC (0.50) SRCELANEANPEPLAP3KMT2A
SCHEMBL14390657 0.72 ALDH1A1 (0.42) SRCELANECYP1A2GAACYP2C9
SCHEMBL12330526 0.72 ALDH1A1 (0.45) SRCELANECYP1A2GAACYP2C9

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
WO-2012037038-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-22 WO disclosed