SCHEMBL7703333

SCHEMBL7703333

CC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
GAA P10253 2/20 0.64
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
IKBKB O14920 2/20 0.49
DGAT1 O75907 3/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
SMO Q99835 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL7694070 0.92 KDM4E (0.73) KDM4EGAANPC1RAB9ADGAT1
SCHEMBL7703233 0.90 KDM4E (0.73) KDM4EGAANPC1RAB9ADGAT1
SCHEMBL7693950 0.89 IKBKB (0.52) KDM4EGAAIKBKBTRPV1TP53
SCHEMBL7695211 0.89 KDM4E (0.53) KDM4EGAANPC1RAB9AIKBKB
SCHEMBL7699894 0.88 IKBKB (0.54) KDM4EGAANPC1RAB9AIKBKB
SCHEMBL7695082 0.88 MAPT (0.50) KDM4EGAANPC1RAB9AIKBKB
SCHEMBL7699245 0.87 KDM4E (0.52) KDM4EGAANPC1RAB9AALDH1A1
SCHEMBL7703322 0.87 KDM4E (0.72) KDM4EGAANPC1RAB9AIKBKB
SCHEMBL7703553 0.86 KDM4E (0.49) KDM4EGAANPC1RAB9AIKBKB
SCHEMBL7703337 0.86 GAA (0.49) KDM4EGAANPC1RAB9AIKBKB

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