SCHEMBL7705474

SCHEMBL7705474

CN(C)c1cccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N(C)c2ccc(Cl)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.42
GPBAR1 Q8TDU6 9/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 2/20 0.38
F10 P00742 1/20 0.36
DGAT1 O75907 1/20 0.36

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
SCHEMBL7693804 0.92 IKBKB (0.45) IKBKBGPBAR1KDM4EALDH1A1MAPT
SCHEMBL7703225 0.90 IKBKB (0.46) IKBKBGPBAR1KDM4EALDH1A1LMNA
SCHEMBL7704986 0.89 HSD17B2 (0.42) IKBKBKDM4EALDH1A1LMNAMAPT
SCHEMBL7695157 0.86 IKBKB (0.48) IKBKBKDM4EALDH1A1MAPTHPGD
SCHEMBL7701500 0.83 GPBAR1 (0.47) IKBKBGPBAR1KDM4EALDH1A1LMNA
SCHEMBL7703305 0.81 GPBAR1 (0.53) IKBKBGPBAR1KDM4EALDH1A1LMNA
SCHEMBL7694123 0.79 KDM4E (0.53) IKBKBKDM4EALDH1A1MAPTHPGD
SCHEMBL7696153 0.78 ALDH1A1 (0.47) IKBKBKDM4EALDH1A1LMNAMAPT
SCHEMBL7699232 0.78 ALDH1A1 (0.47) IKBKBKDM4EALDH1A1MAPTHPGD
SCHEMBL7699727 0.78 IKBKB (0.42) IKBKBALDH1A1LMNAMAPTHPGD

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