SCHEMBL3889780

SCHEMBL3889780

CCCCOC(=O)COCC=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
HCAR2 Q8TDS4 2/20 0.42
DGKA P23743 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAD52 P43351 1/20 0.40
FAAH O00519 1/20 0.39
HTR2C P28335 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21841369 0.93 NAAA (0.56) NAAATSHRHCAR2DGKANPSR1
SCHEMBL21275447 0.84 ALDH1A1 (0.56) ATMNAAAALDH1A1TSHRHPGD
SCHEMBL7767124 0.84 TSHR (0.52) ATMNAAAALDH1A1TSHRHPGD
SCHEMBL1055702 0.82 ALDH1A1 (0.54) ATMNAAAALDH1A1TSHRHPGD
SCHEMBL6319093 0.80 GAA (0.46) ALDH1A1TSHRHCAR2TDP1NPSR1
SCHEMBL7652075 0.80 ALDH1A1 (0.52) ATMNAAAALDH1A1TSHRHPGD
SCHEMBL445923 0.80 ALDH1A1 (0.52) ATMNAAAALDH1A1TSHRHPGD
SCHEMBL1053061 0.80 ALDH1A1 (0.52) ATMNAAAALDH1A1TSHRHPGD
SCHEMBL3679273 0.80 ALDH1A1 (0.52) ATMNAAAALDH1A1TSHRHPGD
SCHEMBL18612049 0.79 ALDH1A1 (0.50) ATMNAAAALDH1A1TSHRHPGD

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-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed