SCHEMBL7701545

SCHEMBL7701545

CC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
IKBKB O14920 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
DGAT1 O75907 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
IKBKE Q14164 1/20 0.41
PPARG P37231 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7704697 0.92 ADCY8 (0.45) KDM4EGAAIKBKBTRPV1DGAT1
SCHEMBL7693922 0.91 KDM4E (0.60) KDM4EGAADGAT1NPC1RAB9A
SCHEMBL7693950 0.86 IKBKB (0.52) KDM4EGAAIKBKBTRPV1TP53
SCHEMBL7703333 0.86 KDM4E (0.64) KDM4EGAAIKBKBTRPV1DGAT1
SCHEMBL7695082 0.84 MAPT (0.50) KDM4EGAAIKBKBTRPV1DGAT1
SCHEMBL7699293 0.83 KDM4E (0.53) KDM4EGAADGAT1MEN1KMT2A
SCHEMBL7697491 0.83 HDAC4 (0.49) IKBKBTRPV1DGAT1MAPT
SCHEMBL7699894 0.82 IKBKB (0.54) KDM4EGAAIKBKBNPC1RAB9A
SCHEMBL7695211 0.82 KDM4E (0.53) KDM4EGAAIKBKBTRPV1DGAT1
SCHEMBL7698068 0.82 KDM4E (0.47) KDM4EGAAIKBKBNPC1RAB9A

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