SCHEMBL7703225

SCHEMBL7703225

CN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N(C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
GPBAR1 Q8TDU6 6/20 0.41
TARBP2 Q15633 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL7703305 0.91 GPBAR1 (0.53) IKBKBALDH1A1KDM4EMAPTLMNA
SCHEMBL7705474 0.90 IKBKB (0.42) IKBKBALDH1A1KDM4EMAPTLMNA
SCHEMBL7701500 0.88 GPBAR1 (0.47) IKBKBALDH1A1KDM4EMAPTLMNA
SCHEMBL7693990 0.85 IKBKB (0.53) IKBKBALDH1A1KDM4EMAPTLMNA
SCHEMBL7701275 0.82 IKBKB (0.63) IKBKBALDH1A1KDM4EMAPTNR1H4
SCHEMBL7693804 0.81 IKBKB (0.45) IKBKBALDH1A1KDM4EMAPTHPGD
SCHEMBL7701025 0.81 IKBKB (0.45) IKBKBALDH1A1KDM4EMAPTHPGD
SCHEMBL7696153 0.81 ALDH1A1 (0.47) IKBKBALDH1A1KDM4EMAPTLMNA
SCHEMBL7699568 0.80 GPBAR1 (0.44) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL7697807 0.79 GPBAR1 (0.47) IKBKBALDH1A1KDM4ELMNAHPGD

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