SCHEMBL9273263

SCHEMBL9273263

COc1ccc(CCCN(C(=O)Nc2c(C(C)C)cccc2C(C)C)[C@H]2CC[C@H](c3ccccc3)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
CHRM5 P08912 6/20 0.41
CHRM1 P11229 6/20 0.41
CHRM3 P20309 6/20 0.41
KMT2A Q03164 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
CHRM2 P08172 1/20 0.38
LPAR1 Q92633 3/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9273258 1.00 UBE2M (0.46) UBE2MDCUN1D1CHRM5CHRM1CHRM3
SCHEMBL9270258 0.95 UBE2M (0.47) UBE2MDCUN1D1CHRM5CHRM1CHRM3
SCHEMBL9270256 0.95 UBE2M (0.47) UBE2MDCUN1D1CHRM5CHRM1CHRM3
SCHEMBL9705436 0.90 UBE2M (0.54) UBE2MDCUN1D1LPAR1
SCHEMBL9265974 0.90 UBE2M (0.54) UBE2MDCUN1D1LPAR1
SCHEMBL9268863 0.88 UBE2M (0.52) UBE2MDCUN1D1KMT2A
SCHEMBL9270071 0.88 UBE2M (0.52) UBE2MDCUN1D1KMT2A
SCHEMBL9270663 0.88 UBE2M (0.52) UBE2MDCUN1D1KMT2A
SCHEMBL9273202 0.85 UBE2M (0.52) UBE2MDCUN1D1KMT2A
SCHEMBL9273200 0.85 UBE2M (0.52) UBE2MDCUN1D1KMT2A

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
US-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed