SCHEMBL8913629

SCHEMBL8913629

CCOC(=O)c1c(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)sc(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.57
MAPT P10636 7/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 8/20 0.55
TP53 P04637 1/20 0.55
RAD52 P43351 1/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 2/20 0.50
CASP1 P29466 1/20 0.50
CTSK P43235 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8907072 0.90 CTSK (0.48) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8907299 0.90 CTSK (0.48) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8908693 0.90 CTSK (0.48) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8913894 0.89 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8911355 0.88 CTSK (0.48) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8911455 0.84 CAPN1 (0.45) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL8912016 0.84 CNR2 (0.52) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL8907102 0.84 CTSK (0.49) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL20369610 0.78 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL11055593 0.75 MEN1 (0.61) MAPTMEN1KMT2ACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799230-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019482-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed