SCHEMBL9273625

SCHEMBL9273625

COc1ccc(NC(=O)N(Cc2ccccc2)C2CCC(c3ccccc3)CC2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
UBE2M P61081 4/20 0.51
DCUN1D1 Q96GG9 4/20 0.51
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL9273627 1.00 THRB (0.54) THRBALDH1A1LMNAUSP2NPSR1
SCHEMBL9275183 0.89 UBE2M (0.49) THRBALDH1A1LMNAUSP2NPSR1
SCHEMBL9265659 0.87 ALDH1A1 (0.56) THRBALDH1A1LMNAUSP2NPSR1
SCHEMBL9265663 0.87 ALDH1A1 (0.56) THRBALDH1A1LMNAUSP2NPSR1
SCHEMBL19555604 0.84 PPARG (0.51) ALDH1A1LMNAUSP2NPSR1UBE2M
SCHEMBL19555602 0.84 PPARG (0.51) ALDH1A1LMNAUSP2NPSR1UBE2M
SCHEMBL19555609 0.82 UBE2M (0.57) ALDH1A1UBE2MDCUN1D1MEN1KMT2A
SCHEMBL19555610 0.82 UBE2M (0.57) ALDH1A1UBE2MDCUN1D1MEN1KMT2A
SCHEMBL18657684 0.81 UBE2M (0.79) UBE2MDCUN1D1
SCHEMBL9270461 0.80 ALDH1A1 (0.55) THRBALDH1A1LMNAUSP2NPSR1

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