SCHEMBL7701384

SCHEMBL7701384

O=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)NCc2ccccc2C(F)(F)F)cc1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.51
MAPT P10636 3/20 0.46
BCHE P06276 1/20 0.44
DGAT1 O75907 3/20 0.44
PTGES O14684 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ADCY8 P40145 1/20 0.43
ADCY1 Q08828 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CCR6 P51684 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL7700202 0.95 EPHX2 (0.52) EPHX2DGAT1PTGESCNR1CNR2
SCHEMBL7699756 0.91 EPHX2 (0.48) EPHX2MAPTDGAT1PTGESSMN1; SMN2
SCHEMBL7701962 0.91 TAOK1 (0.54) EPHX2MAPTDGAT1PTGESSMN1; SMN2
SCHEMBL7700128 0.91 EPHX2 (0.49) EPHX2MAPTBCHEDGAT1PTGES
SCHEMBL7696456 0.90 MAPT (0.51) EPHX2MAPTDGAT1TDP1POLB
SCHEMBL7696332 0.88 PTGES (0.49) EPHX2MAPTDGAT1PTGESSMN1; SMN2
SCHEMBL7693795 0.88 KDM4E (0.51) EPHX2DGAT1PTGESSMN1; SMN2POLB
SCHEMBL7703699 0.87 ALDH1A1 (0.51) EPHX2MAPTDGAT1PTGESSMN1; SMN2
SCHEMBL7701450 0.87 EPHX2 (0.48) EPHX2MAPTDGAT1PTGESSMN1; SMN2
SCHEMBL7699195 0.86 HPGD (0.50) EPHX2MAPTDGAT1PTGESSMN1; 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 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