SCHEMBL9600220

SCHEMBL9600220

CC(=O)NCc1ccc(C(=O)COC(C)=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL9082467 0.80 POLB (0.59) KMT2APOLBTDP1HSD17B10ESR1
SCHEMBL10061717 0.71 MAPT (0.50) KMT2AHPGDPOLBTDP1ALDH1A1
SCHEMBL9292488 0.70 POLB (0.39) KMT2AHPGDPOLBTDP1HSD17B10
SCHEMBL12545535 0.69 ALDH1A1 (0.58) KMT2APOLBALDH1A1MAPTRAB9A
SCHEMBL14062281 0.69 SMN1; SMN2 (0.48) KMT2AHPGDPOLBTDP1HSD17B10
SCHEMBL9292485 0.69 TSHR (0.49) KMT2AHPGDPOLBTDP1HSD17B10
SCHEMBL23121931 0.69 CASP6 (0.46) KMT2AHPGDPOLBTDP1ALDH1A1
SCHEMBL9293334 0.68 KMT2A (0.42) KMT2APOLBTDP1ALDH1A1TSHR
SCHEMBL12133623 0.67 KMT2A (0.76) KMT2APOLBALDH1A1MAPTRAB9A
SCHEMBL8426873 0.67 ALDH1A1 (0.55) KMT2AHPGDPOLBTDP1ALDH1A1

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-1993024485-A1 OXAZOLE DERIVATIVES AND THEIR USE AS ANTIULCER AGENTS AND H2-RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-09 WO disclosed