SCHEMBL10904625

SCHEMBL10904625

CCCOC(=O)CO/N=C/CCl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 4/20 0.32
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10904627 1.00 HCAR2 (0.34) HCAR2ALDH1A1NAAADGKAPPM1B
SCHEMBL10902699 0.86 GAA (0.40) ALDH1A1L3MBTL1
SCHEMBL10902695 0.86 GAA (0.40) ALDH1A1L3MBTL1
SCHEMBL10903004 0.78 TSHR (0.36)
SCHEMBL3904302 0.74 NAAA (0.38) HCAR2ALDH1A1NAAADGKAPPM1B
SCHEMBL10901100 0.71
SCHEMBL9131570 0.71 GAA (0.43) HCAR2ALDH1A1NAAADGKATDP1
SCHEMBL10902713 0.70 ALDH1A1 (0.50) HCAR2ALDH1A1TDP1L3MBTL1
SCHEMBL139300 0.68
SCHEMBL14199950 0.68 NAAA (0.43) HCAR2ALDH1A1NAAADGKAPPM1B

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-4584014-A PREEMERGENCE HERBICIDES;CORN, WHEAT AND OATS ROHM AND HAAS COMPANY (US) 1986-04-22 US disclosed