SCHEMBL7070880

SCHEMBL7070880

O=C(O)C(F)=Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
PYGL P06737 7/20 0.42
TSHR P16473 1/20 0.42
IGF1R P08069 1/20 0.39
GUSB P08236 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
DPEP1 P16444 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL7070877 1.00 ALDH1A1 (0.48) ALDH1A1PYGLTSHRIGF1RGUSB
SCHEMBL207765 0.79 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AGRIK1
SCHEMBL207766 0.79 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AGRIK1
SCHEMBL207767 0.79 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AGRIK1
SCHEMBL28404406 0.78 ALDH1A1 (0.48) ALDH1A1PYGLTSHRGUSBKMT2A
SCHEMBL2008473 0.78 AKR1C3 (0.55) ALDH1A1PYGLTSHR
SCHEMBL7615822 0.78 AKR1C3 (0.55) ALDH1A1PYGLTSHR
SCHEMBL28488562 0.76 CYP1A2 (0.51) ALDH1A1KMT2ANPSR1GRIK1GRIK2
SCHEMBL27507474 0.76 CYP1A2 (0.51) ALDH1A1KMT2ANPSR1GRIK1GRIK2
SCHEMBL7071167 0.76 MAPT (0.47) ALDH1A1PYGLTSHRKMT2ANPSR1

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-0946492-B1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF BAYER CROPSCIENCE GMBH (DE) 2003-06-18 EP claimed