SCHEMBL9683972

SCHEMBL9683972

CCCCCOC=C(C)C([O])=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
TSHR P16473 2/20 0.40
NAAA Q02083 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.37
FAAH O00519 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 3/20 0.36

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
SCHEMBL898728 0.84 HCAR2 (0.43) CES2TSHRNAAAHCAR2ALDH1A1
SCHEMBL898727 0.84 HCAR2 (0.43) CES2TSHRNAAAHCAR2ALDH1A1
SCHEMBL3388405 0.82 CES2 (0.46) CES2TSHRNAAAHCAR2ALDH1A1
SCHEMBL28126163 0.82 CES2 (0.46) CES2TSHRNAAAHCAR2ALDH1A1
SCHEMBL27873053 0.81 CES2 (0.44) CES2TSHRNAAAHCAR2EPHX1
SCHEMBL28175610 0.78 TSHR (0.56) CES2TSHRNAAAHCAR2ALDH1A1
SCHEMBL809306 0.78 ALDH1A1 (0.45) CES2TSHRHCAR2ALDH1A1ATM
SCHEMBL809305 0.78 ALDH1A1 (0.45) CES2TSHRHCAR2ALDH1A1ATM
Glycolic Acid SCHEMBL10531852 0.77 CES2 (0.41) CES2TSHRNAAAHCAR2ALDH1A1
SCHEMBL1644147 0.77 ACHE (0.42) CES2TSHREPHX1FAAHACHE

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-5080986-A Magnetic image character recognition processes with encapsulated toners XEROX CORPORATION (US) 1992-01-14 US claimed