SCHEMBL16953783

SCHEMBL16953783

CC(C)Oc1ccc(CO)cc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
CSNK2A1 P68400 2/20 0.40
KCNH2 Q12809 8/20 0.39
TMEM97 Q5BJF2 8/20 0.39
SIGMAR1 Q99720 8/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CASR P41180 1/20 0.37
AR P10275 1/20 0.36
PDE2A O00408 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TTR P02766 1/20 0.34
EPHX1 P07099 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
SCHEMBL7043801 0.85 CSNK2A1 (0.47) RXRARXRBRXRGCSNK2A1KCNH2
SCHEMBL16961827 0.85 CYP4F2 (0.42) RXRARXRBRXRGKCNH2TMEM97
SCHEMBL2714223 0.82 AR (0.50) CYP4F2CYP4A11ARTTR
SCHEMBL580037 0.80 CA2 (0.50) MEN1LMNAKMT2ATTR
SCHEMBL30488261 0.79 RXRA (0.59) RXRARXRBRXRGCSNK2A1KCNH2
SCHEMBL3901506 0.79 CYP4F2 (0.40) KCNK3KCNK9KCNH2TMEM97SIGMAR1
SCHEMBL2019451 0.79 RXRA (0.59) RXRARXRBRXRGCSNK2A1KCNH2
SCHEMBL16958068 0.79 HTT (0.49) RXRARXRBRXRGKCNH2TMEM97
SCHEMBL16952024 0.79 CA2 (0.48) ARKMT2ATTR
SCHEMBL16953715 0.78 HTT (0.50) CSNK2A1KCNH2MEN1LMNAKMT2A

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