SCHEMBL12818924

SCHEMBL12818924

CC1(OC(=O)O)CC(c2cc(Cl)cc(Cl)c2)=NO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
RECQL P46063 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
AKR1C1 Q04828 1/20 0.34
ITGB1 P05556 3/20 0.34
ITGA4 P13612 3/20 0.34
KDM4E B2RXH2 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PKM P14618 1/20 0.32
APP P05067 1/20 0.32
SSTR5 P35346 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
KMO O15229 1/20 0.31
F10 P00742 1/20 0.31
CRBN Q96SW2 1/20 0.30

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
SCHEMBL16962004 0.87 CA1 (0.40) CA1CA2RECQLITGB1ITGA4
SCHEMBL16957093 0.86 NOTUM (0.41) CA1CA2FFAR4
SCHEMBL12818789 0.83 CA1 (0.43) CA1CA2SSTR5
SCHEMBL16961379 0.83 PGR (0.42) CA1CA2AKR1C3AKR1C2APP
SCHEMBL16960117 0.82 CA1 (0.41) CA1CA2AKR1C3AKR1C2KDM4E
SCHEMBL16964254 0.81 CA1 (0.39) CA1CA2RECQLITGB1ITGA4
SCHEMBL16956597 0.80 CA1 (0.41) CA1CA2AKR1C3AKR1C2AKR1C1
SCHEMBL16958849 0.80 CRBN (0.40) CA1CA2ITGB1ITGA4KDM4E
SCHEMBL12818958 0.78 CA1 (0.39) CA1CA2RECQLITGB1ITGA4
SCHEMBL12818923 0.78 CA1 (0.55) CA1CA2RECQLITGB1ITGA4

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-3668845-B1 HERBICIDALLY ACTIVE 3-PHENYL-5-TRIFLUORMETHYLISOXAZOLIN-5-CARBOXAMIDES OF CYCLOPENTYL CARBOXYLIC ACIDS AND ESTERS BAYER AG (DE) 2024-06-26 EP disclosed
EP-2691379-B1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER IP GMBH (DE) 2016-11-02 EP disclosed
EP-2691379-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHENYLISOXAZOLINE-5-THIOAMIDES Bayer Intellectual Property GmbH (DE) 2014-02-05 EP disclosed
WO-2012130798-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-PHNEYLISOXAZOLINE-5-CARBOXAMIDES AND 3-PHNEYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2012-10-04 WO disclosed