SCHEMBL9274697

SCHEMBL9274697

COc1cc(OC)c(CN(C(=O)Nc2c(C(C)C)cccc2C(C)C)[C@H]2CC[C@H](c3ccccc3)CC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 7/20 0.50
DCUN1D1 Q96GG9 7/20 0.50
LPAR1 Q92633 6/20 0.46
ALDH1A1 P00352 4/20 0.41
USP2 O75604 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 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
SCHEMBL9274690 1.00 UBE2M (0.50) UBE2MDCUN1D1LPAR1ALDH1A1USP2
SCHEMBL9265902 0.86 UBE2M (0.52) UBE2MDCUN1D1LPAR1ALDH1A1USP2
SCHEMBL9274371 0.86 UBE2M (0.52) UBE2MDCUN1D1LPAR1ALDH1A1USP2
SCHEMBL9265896 0.86 UBE2M (0.52) UBE2MDCUN1D1LPAR1ALDH1A1USP2
SCHEMBL9265974 0.86 UBE2M (0.54) UBE2MDCUN1D1LPAR1LMNATHRB
SCHEMBL9705436 0.86 UBE2M (0.54) UBE2MDCUN1D1LPAR1LMNATHRB
SCHEMBL9275156 0.84 UBE2M (0.50) UBE2MDCUN1D1LPAR1ALDH1A1USP2
SCHEMBL9275159 0.84 UBE2M (0.50) UBE2MDCUN1D1LPAR1ALDH1A1USP2
SCHEMBL9272153 0.83 UBE2M (0.49) UBE2MDCUN1D1LPAR1ALDH1A1USP2
SCHEMBL9272160 0.83 UBE2M (0.49) UBE2MDCUN1D1LPAR1ALDH1A1USP2

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