SCHEMBL7700942

SCHEMBL7700942

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCc2ccccc2C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PTGES O14684 5/20 0.40
BTK Q06187 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
GRK3 P35626 2/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
GRK2 P25098 1/20 0.38
GRK5 P34947 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL7698091 0.87 HTT (0.46) KDM4ELMNA
SCHEMBL7698726 0.86 LMNA (0.47) EPHX2ROCK2PRKD3LMNAIKBKB
SCHEMBL7703284 0.86 EPHX2 (0.46) EPHX2CNR1CNR2PTGESHSD17B13
SCHEMBL7696114 0.86 EPHX2 (0.44) EPHX2CNR1CNR2PTGESHSD17B13
SCHEMBL7699810 0.84 EPHX2 (0.45) EPHX2CNR1CNR2PTGESBTK
SCHEMBL7693979 0.83 IKBKB (0.42) KDM4EIKBKB
SCHEMBL7695359 0.82 EPHX2 (0.44) EPHX2CNR1CNR2PTGESHSD17B13
SCHEMBL7699627 0.81 IKBKB (0.40) KDM4ESMN1; SMN2IKBKB
SCHEMBL7695326 0.81 IKBKB (0.40) KDM4ESMN1; SMN2IKBKB
SCHEMBL7699232 0.80 ALDH1A1 (0.47) KDM4ESMN1; SMN2IKBKB

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed