SCHEMBL9845992

SCHEMBL9845992

CC=CC(=O)NOB(ONC(=O)C=CC)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 4/20 0.34
EGFR P00533 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33

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
SCHEMBL2243245 0.85 ALDH1A1 (0.36) MTNR1AMTNR1BALDH1A1EGFRMMP1
SCHEMBL6184019 0.74 KMT2A (0.39) ALDH1A1LMNATSHRNAPRTHSD17B10
SCHEMBL29486039 0.74 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1EGFRMMP1
SCHEMBL7040697 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRNAPRTHSD17B10
SCHEMBL265422 0.71 NPC1 (0.57) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL22361659 0.71 KMT2A (0.58) ALDH1A1SMN1; SMN2LMNATSHRHSD17B10
SCHEMBL29485894 0.71 NPC1 (0.57) ALDH1A1HDAC3HDAC4HDAC1HDAC2
SCHEMBL28416377 0.70 HDAC2 (0.33) ALDH1A1EGFRMMP1MMP2MMP9
SCHEMBL29126028 0.70 TGM2 (0.44) ALDH1A1EGFRSMN1; SMN2HTTGAA
SCHEMBL15514000 0.69 PTPN1 (0.38) ALDH1A1HDAC3HDAC4HDAC1HDAC2

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
EP-0424168-A1 Polymer complexes of a sugar response type NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-04-24 EP disclosed