SCHEMBL9218944

SCHEMBL9218944

CCCc1n[nH]c(CCl)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.43
HCAR3 P49019 2/20 0.34
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
ALPL P05186 1/20 0.32
DPP4 P27487 2/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.31
TTR P02766 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
SCHEMBL27737815 0.77 HCAR2 (0.54) HCAR2HCAR3DPP4KMT2AALDH1A1
SCHEMBL21393 0.73 HCAR2 (0.37) HCAR2HCAR3PTPN1PTPN11ALPL
SCHEMBL19329 0.72 HCAR2 (0.39) HCAR2HCAR3PTPN1PTPN11ALPL
SCHEMBL7470965 0.72 HCAR2 (0.39) HCAR2HCAR3PTPN1PTPN11ALPL
SCHEMBL27737480 0.72 HCAR2 (0.49) HCAR2HCAR3ALDH1A1
SCHEMBL17478590 0.71 HCAR2 (0.51) HCAR2
SCHEMBL27737630 0.71 HCAR2 (0.48) HCAR2HCAR3DPP4ALDH1A1TTR
SCHEMBL11203864 0.70 HCAR2 (0.44) HCAR2HCAR3ALPLKMT2ATTR
SCHEMBL17294915 0.70 HCAR2 (0.42) HCAR2HCAR3ALPLKMT2AHTT
SCHEMBL11210298 0.70 HCAR2 (0.41) HCAR2HCAR3TTR

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
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed