SCHEMBL17200969

SCHEMBL17200969

CCCCOC(=O)C1(C(CC)CCCC)OO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
ATM Q13315 2/20 0.38
TSHR P16473 5/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NAAA Q02083 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 2/20 0.33
DPP7 Q9UHL4 1/20 0.33
SLC15A1 P46059 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 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
SCHEMBL8138522 0.94 ALDH1A1 (0.40) ALDH1A1CA2CA1ATMTSHR
SCHEMBL7933395 0.88 NAAA (0.42) ALDH1A1TSHRHCAR2LMNANAAA
SCHEMBL8359372 0.78 CA2 (0.44) CA2CA1MAPK1DPP7SLC15A1
SCHEMBL8368535 0.75 ALDH1A1 (0.38) ALDH1A1CA2CA1ATMTSHR
SCHEMBL3205330 0.72 ALDH1A1 (0.38) ALDH1A1CA2CA1ATMTSHR
SCHEMBL669519 0.71 NAAA (0.38) ALDH1A1CA2CA1TSHRCYP3A4
SCHEMBL2685758 0.70 NAAA (0.40) ALDH1A1CA2CA1TSHRHCAR2
SCHEMBL1097461 0.70 NOD1 (0.50) ALDH1A1CA2CA1ATMTSHR
SCHEMBL4957809 0.70 NOD1 (0.50) ALDH1A1CA2CA1ATMTSHR
SCHEMBL3123678 0.67 CA2 (0.40) CA2CA1ATMTSHRTDP1

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-20150309433-A1 ELECTROSTATIC CHARGE IMAGE DEVELOPING TONER Konica Minolta, Inc. (JP) 2015-10-29 US disclosed