SCHEMBL9506397

SCHEMBL9506397

COc1ccc(C(=O)CCC(=O)NN2CCOCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.59
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.50
THRB P10828 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.49
FKBP1A P62942 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL9506312 0.92 HDAC8 (0.56) MMP1ALDH1A1MAPTHPGDKDM4E
SCHEMBL9503176 0.82 ALDH1A1 (0.61) ALDH1A1MAPTHSD17B10KMT2ALMNA
SCHEMBL12123805 0.80 KMT2A (0.73) ALDH1A1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7932179 0.78 KMT2A (0.75) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16552644 0.76 MMP1 (0.76) MMP1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL9506318 0.74 MAPT (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11660114 0.74 KMT2A (0.58) ALDH1A1MAPTHSD17B10MEN1KMT2A
SCHEMBL9506317 0.73 MAPT (0.49) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL11605742 0.73 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL1108994 0.72 MMP1 (0.70) MMP1ALDH1A1MAPTHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300325-B1 COMPOSITIONS FOR PROMOTING GROWTH OF ANIMALS COMETEC S.r.l. (IT) 1993-06-16 EP disclosed
EP-0300325-A2 Compositions for promoting growth of animals COMETEC S.r.l. (IT) 1989-01-25 EP disclosed
US-4115570-A CENTRAL NERVOUS SYSTEM DEPRESSANTS ISTITUTO CHEMIOTERAPICO ITALIANO, S.P.A. (IT) 1978-09-19 US disclosed