SCHEMBL6937330

SCHEMBL6937330

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.39
RORC P51449 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARD Q03181 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
SCHEMBL6938036 0.92 CYP2C19 (0.38) PTGDR2RORCCYP2C19TDP1TSHR
SCHEMBL6935030 0.92 PTGDR2 (0.34) PTGDR2RORCCYP2C19
SCHEMBL7693094 0.91 LMNA (0.33) PTGDR2RORCCYP2C19TDP1TSHR
SCHEMBL6934937 0.91 LMNA (0.33) PTGDR2RORCCYP2C19TDP1TSHR
SCHEMBL6939948 0.89 CYP2C19 (0.38) PTGDR2RORCCYP2C19TDP1TSHR
SCHEMBL6937105 0.89 KDM4E (0.36) TSHRKDM4EALDH1A1HPGDHTT
SCHEMBL6935585 0.88 PPOX (0.46) TDP1TSHRPKMKDM4EALDH1A1
SCHEMBL6934941 0.87 CYP2C19 (0.38) PTGDR2RORCCYP2C19TDP1TSHR
SCHEMBL8094040 0.87 CYP2C19 (0.40) PTGDR2RORCCYP2C19TDP1TSHR
SCHEMBL7702777 0.87 LMNA (0.34) TSHRHPGD

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 4 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
EP-1061072-B1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2003-05-14 EP disclosed
US-6391827-B1 CONTROLLING WEEDS ISAGRO RICERCA S.R.L. (IT) 2002-05-21 US disclosed
EP-1061072-A1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA S.r.l. (IT) 2000-12-20 EP disclosed