SCHEMBL8938810

SCHEMBL8938810

O=C(O)COc1ccccc1-n1nnc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.46
▸ PTGDR2 Q9Y5Y4 9/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ PPOX P50336 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PPARD Q03181 4/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MRGPRX4 Q96LA9 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
SCHEMBL8938813 0.88 TDP1 (0.48) FFAR1PTGDR2MEN1KMT2ATDP1
SCHEMBL8938804 0.88 PTGDR2 (0.38) FFAR1PTGDR2PPARD
SCHEMBL8938812 0.85 PTGDR2 (0.47) FFAR1PTGDR2PPARDCYP2C19MRGPRX4
SCHEMBL10617783 0.75 FFAR1 (0.70) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL8378639 0.74 MEN1 (0.64) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL11441674 0.73 FFAR1 (0.58) FFAR1PTGDR2MEN1TTRPPOX
SCHEMBL10610451 0.73 FFAR1 (0.44) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8692908 0.73 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10608969 0.72 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8938807 0.72 GABRA2 (0.38) CYP2C19

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
US-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 — — US claimed
US-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 — — US disclosed
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