SCHEMBL16959546

SCHEMBL16959546

CCOc1cc(OC(F)(F)F)cc([C](C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CCR6 P51684 1/20 0.34
▸ NQO1 P15559 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BRD4 O60885 1/20 0.33

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
SCHEMBL16953043 0.87 ADORA3 (0.36) L3MBTL1MRGPRX4
SCHEMBL16951290 0.85 KMT2A (0.46) MEN1KMT2ALMNAALDH1A1NQO1
SCHEMBL16950549 0.81 MRGPRX4 (0.38) LMNAMRGPRX4TSHR
SCHEMBL21432531 0.80 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ALMNAPAX8
SCHEMBL16959259 0.80 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ALMNAPAX8
SCHEMBL16952868 0.79 L3MBTL1 (0.44) L3MBTL1MEN1KMT2ALMNAPAX8
SCHEMBL16962676 0.79 RXRA (0.48) L3MBTL1MEN1KMT2ALMNAPAX8
SCHEMBL16770632 0.79 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ALMNAPAX8
SCHEMBL18781271 0.79 MAPT (0.53) L3MBTL1MEN1KMT2ALMNAPAX8
SCHEMBL16953266 0.79 CA1 (0.40) LMNA

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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