SCHEMBL7688540

SCHEMBL7688540

COC(=O)CC(C[N+](=O)[O-])c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
CNR1 P21554 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
BLM P54132 1/20 0.44
AOC3 Q16853 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL1269141 0.89 L3MBTL1 (0.45) L3MBTL1MTNR1AMTNR1BCNR1MEN1
SCHEMBL8032126 0.88 CNR1 (0.49) L3MBTL1MTNR1AMTNR1BCNR1MEN1
SCHEMBL8032125 0.88 CNR1 (0.49) L3MBTL1MTNR1AMTNR1BCNR1MEN1
SCHEMBL8032242 0.88 CNR1 (0.49) L3MBTL1MTNR1AMTNR1BCNR1MEN1
SCHEMBL7680353 0.86 F2 (0.42) CNR1MEN1KMT2AF2F10
SCHEMBL7448150 0.85 FFAR1 (0.37) L3MBTL1MTNR1AMTNR1BCNR1MEN1
SCHEMBL19586903 0.85 KMT2A (0.52) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL30947796 0.85 ALDH1A1 (0.41) CNR1MEN1KMT2AGAAF2
SCHEMBL6478160 0.85 KCNA5 (0.44) L3MBTL1MEN1KMT2AF2F10
SCHEMBL6478745 0.85 ALDH1A1 (0.41) CNR1MEN1KMT2AGAAF2

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
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 WO disclosed