SCHEMBL16256583

SCHEMBL16256583

CCc1ccc(OC)cc1C1=C(O)CC(COC)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 3/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CYP24A1 Q07973 3/20 0.39
▸ CYP27A1 Q02318 1/20 0.39
▸ CYP26A1 O43174 2/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA1 P00915 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
SCHEMBL19071282 0.91 METAP1 (0.32) METAP1ACHECYP24A1CYP27A1
SCHEMBL19071419 0.88 MEN1 (0.34) CYP24A1CYP26A1CYP19A1HPGDCYP3A4
SCHEMBL16256578 0.86 ACHE (0.41) METAP1ACHECYP24A1CYP27A1CYP26A1
SCHEMBL16256575 0.85 ACHE (0.54) METAP1ACHECYP24A1CYP27A1CYP26A1
SCHEMBL16256579 0.83 METAP1 (0.39) METAP1ACHECYP24A1CYP27A1CYP26A1
SCHEMBL16256586 0.81 CYP24A1 (0.37) METAP1ACHECYP24A1CYP27A1CYP26A1
SCHEMBL16256580 0.80 CYP24A1 (0.36) METAP1ACHECYP24A1CYP27A1CYP26A1
SCHEMBL16256573 0.74 CA1 (0.39) METAP1ACHECYP24A1CYP27A1HDAC4
SCHEMBL19070884 0.73 ACACB (0.36) CYP24A1CYP26A1CYP19A1HPGDCYP3A4
SCHEMBL16256604 0.72 CYP24A1 (0.40) METAP1ACHECYP24A1CYP27A1CYP26A1

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
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 — — US disclosed
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