SCHEMBL7054327

SCHEMBL7054327

O=C(c1cccc(CO)c1)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
CES1 P23141 1/20 0.53
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
MLYCD O95822 2/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
HDAC6 Q9UBN7 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
CNR2 P34972 1/20 0.42
FOLH1 Q04609 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL7054323 0.85 ACHE (0.54) ACHECES1MLYCDHDAC6FOLH1
SCHEMBL7053815 0.84 ACHE (0.53) ACHECES1MLYCDHDAC6FOLH1
SCHEMBL19745468 0.84 ACHE (0.53) ACHECES1MLYCDHDAC6FOLH1
SCHEMBL7053819 0.84 LOXL2 (0.56) ACHECES1MLYCDHDAC6
SCHEMBL8755253 0.82 CES1 (0.70) ACHECES1MLYCDHDAC6MAPT
SCHEMBL6293976 0.81 PRSS1 (0.50) ACHEPRSS1PRSS2PRSS3PRKCA
SCHEMBL21291426 0.81 ACHE (0.58) ACHECES1MLYCDHDAC6
SCHEMBL31229898 0.80 PRSS1 (0.49) ACHEPRSS1PRSS2PRSS3PRKCA
SCHEMBL14686042 0.80 PRSS1 (0.49) ACHEPRSS1PRSS2PRSS3PRKCA
SCHEMBL15716148 0.80 ACHE (0.53) ACHECES1TP53RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed