SCHEMBL6940513

SCHEMBL6940513

Cn1c(Br)c(-c2cc(OCC(=O)O)c(Cl)cc2F)c(Br)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
PKM P14618 2/20 0.38
PTGDR2 Q9Y5Y4 11/20 0.36
RORC P51449 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1B1 P15121 1/20 0.34

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
SCHEMBL6939948 0.92 CYP2C19 (0.38) CYP2C19PKMPTGDR2RORCTDP1
SCHEMBL6935624 0.88 PPOX (0.45) CYP2C19PKMTDP1TSHRKDM4E
SCHEMBL6937330 0.83 PTGDR2 (0.39) CYP2C19PKMPTGDR2RORCTDP1
SCHEMBL6936945 0.82 PGK1 (0.34)
SCHEMBL6939582 0.82 PTGDR2 (0.35) PTGDR2
SCHEMBL6942000 0.82 L3MBTL1 (0.31)
SCHEMBL6938229 0.81 PKM (0.41) CYP2C19PKMPTGDR2RORCTDP1
SCHEMBL6940990 0.81
SCHEMBL6937343 0.80 POLB (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL6941698 0.80 PPOX (0.45) CYP2C19PKMTDP1TSHRKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061072-B1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2003-05-14 EP claimed
US-6391827-B1 CONTROLLING WEEDS ISAGRO RICERCA S.R.L. (IT) 2002-05-21 US claimed