SCHEMBL7705020

SCHEMBL7705020

CN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N2CC=CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
LMNA P02545 3/20 0.35
THRB P10828 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL7699960 0.91 IKBKB (0.44) IKBKBMAPTRXFP1HDAC6HDAC3
SCHEMBL7699558 0.89 IKBKB (0.42) IKBKBMAPTRXFP1ALDH1A1HSD17B10
SCHEMBL7700110 0.88 KDM4E (0.44) IKBKBMAPTRXFP1ALDH1A1HSD17B10
SCHEMBL7701990 0.85 IKBKB (0.46) IKBKBMAPTRXFP1ALDH1A1HDAC6
SCHEMBL7693990 0.83 IKBKB (0.53) IKBKBMAPTRXFP1ALDH1A1HSD17B10
SCHEMBL7701275 0.82 IKBKB (0.63) IKBKBMAPTRXFP1ALDH1A1HSD17B10
SCHEMBL7699217 0.80 MAPT (0.36) MAPTRXFP1ALDH1A1HSD17B10TSHR
SCHEMBL7699727 0.79 IKBKB (0.42) IKBKBMAPTCNR2ALDH1A1TSHR
SCHEMBL7700016 0.78 IKBKB (0.42) IKBKBMAPTRXFP1TSHRHPGD
SCHEMBL7699330 0.77 KDM4E (0.53) IKBKBMAPTALDH1A1HSD17B10NR1H4

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