SCHEMBL3433260

SCHEMBL3433260

CCCC(CCCCC=CN)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
SOAT1 P35610 1/20 0.33
MGLL Q99685 1/20 0.32
GAA P10253 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL29026540 0.87 CTSK (0.36) CTSKMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6832949 0.83 TAS1R3 (0.36) CTSKMEN1KMT2ACYP3A4CA1
SCHEMBL6832950 0.83 TAS1R3 (0.36) CTSKMEN1KMT2ACYP3A4CA1
SCHEMBL853122 0.82 CTSK (0.37) CTSKMEN1KMT2ACYP1A2CYP3A4
SCHEMBL853121 0.82 CTSK (0.37) CTSKMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5981783 0.81 CA2 (0.44) CTSKMEN1KMT2ACYP3A4CA1
SCHEMBL29197061 0.81 CA1 (0.40) CTSKCYP1A2CYP3A4CYP2C19CA1
SCHEMBL10291076 0.80 HDAC1 (0.46) CTSKMEN1KMT2ACYP3A4CA1
SCHEMBL25422481 0.79 CA2 (0.47) CA1CA2FAAHMAPTFFAR1
Hydrochloric Acid SCHEMBL29134420 0.79 CA2 (0.43) CTSKMEN1KMT2ACYP3A4CA1

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-2010059126-A1 SENSOR FOR DETECTION OF NUCLEIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-05-27 WO disclosed