SCHEMBL7704697

SCHEMBL7704697

COc1cc(NC(=O)c2nc(-c3ccc(C(C)(C)C)cc3)oc2-c2ccc(NC(C)=O)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY8 P40145 1/20 0.45
ADCY1 Q08828 1/20 0.45
TMPRSS4 Q9NRS4 2/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
DGAT1 O75907 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
P2RX1 P51575 1/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IKBKB O14920 1/20 0.41
THRB P10828 2/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL7699293 0.92 KDM4E (0.53) ADCY8ADCY1TMPRSS4KDM4EGAA
SCHEMBL7701545 0.92 KDM4E (0.48) KDM4EGAADGAT1P2RX1MAPT
SCHEMBL7695082 0.88 MAPT (0.50) KDM4EGAADGAT1RXFP1MAPT
SCHEMBL7695533 0.84 ADCY8 (0.47) ADCY8ADCY1TMPRSS4KDM4EDGAT1
SCHEMBL7693922 0.84 KDM4E (0.60) KDM4EGAADGAT1P2RX1MEN1
SCHEMBL7699146 0.82 MAPT (0.57) KDM4EGAARXFP1MAPTMEN1
SCHEMBL7698685 0.81 DGAT1 (0.50) ADCY8ADCY1TMPRSS4KDM4EDGAT1
SCHEMBL7703333 0.80 KDM4E (0.64) KDM4EGAADGAT1MAPTALDH1A1
SCHEMBL7693950 0.80 IKBKB (0.52) KDM4EGAAMAPTIKBKBTRPV1
SCHEMBL7699576 0.80 KDM4E (0.48) KDM4EGAARXFP1MAPTALDH1A1

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