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SCHEMBL8094040

SCHEMBL8094040

COn1c(Cl)c(-c2cc(OCC(=O)O)c(Cl)cc2F)c(Cl)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.40
▸ PTGDR2 Q9Y5Y4 11/20 0.39
▸ TDP1 Q9NUW8 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PPARD Q03181 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ LMNA P02545 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
SCHEMBL6937330 0.87 PTGDR2 (0.39) CYP2C19PTGDR2TDP1TSHRPPARD
SCHEMBL6934941 0.85 CYP2C19 (0.38) CYP2C19PTGDR2TDP1TSHRKDM4E
SCHEMBL6939701 0.82 PGK1 (0.34) LMNA
SCHEMBL6940077 0.82 PTGDR2 (0.36) PTGDR2PPARD
SCHEMBL6938036 0.81 CYP2C19 (0.38) CYP2C19PTGDR2TDP1TSHRKDM4E
SCHEMBL6935030 0.79 PTGDR2 (0.34) CYP2C19PTGDR2RORCLMNA
SCHEMBL6939948 0.79 CYP2C19 (0.38) CYP2C19PTGDR2TDP1TSHRPPARD
SCHEMBL6934937 0.79 LMNA (0.33) CYP2C19PTGDR2TDP1TSHRRORC
SCHEMBL7693094 0.79 LMNA (0.33) CYP2C19PTGDR2TDP1TSHRRORC
SCHEMBL6940513 0.77 CYP2C19 (0.38) CYP2C19PTGDR2TDP1TSHRKDM4E

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-1061072-A1 Pyrrolic compounds with a high herbicidal activity and their agronomic use ISAGRO RICERCA S.r.l. (IT) 2000-12-20 — — EP disclosed