SCHEMBL9257513

SCHEMBL9257513

COc1cc(OC)c(NC(=O)N(Cc2cccc(CN(C(=O)Nc3c(OC)cc(OC)cc3OC)C3CCCCCC3)c2)C2CCCCCC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.50
ROCK2 O75116 1/20 0.49
TP53 P04637 3/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
UBE2M P61081 4/20 0.47
DCUN1D1 Q96GG9 4/20 0.47
ALDH1A1 P00352 5/20 0.47
USP2 O75604 4/20 0.47
LMNA P02545 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9537623 0.85 ALDH1A1 (0.42) THRBROCK2TP53MAPTPOLB
SCHEMBL9264006 0.84 ROCK2 (0.61) THRBROCK2TP53MAPTPOLB
SCHEMBL9256258 0.83 TP53 (0.67) THRBROCK2TP53MAPTPOLB
SCHEMBL9262760 0.83 LMNA (0.59) THRBTP53MAPTPOLBUBE2M
SCHEMBL9275183 0.82 UBE2M (0.49) THRBROCK2UBE2MDCUN1D1ALDH1A1
SCHEMBL9269297 0.79 MEN1 (0.49) THRBTP53MAPTPOLBALDH1A1
SCHEMBL9269308 0.79 MEN1 (0.49) THRBTP53MAPTPOLBALDH1A1
SCHEMBL9262833 0.77 AGER (0.49) POLBUBE2MDCUN1D1ALDH1A1
SCHEMBL9256017 0.77 ALDH1A1 (0.66) TP53UBE2MDCUN1D1ALDH1A1LMNA
SCHEMBL9265663 0.76 ALDH1A1 (0.56) THRBMAPTUBE2MDCUN1D1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384425-A Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-01-24 US disclosed
EP-0325397-B1 DIUREA DERIVATIVES USEFUL AS MEDICAMENTS AND PROCESSES FOR THE PREPARATION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed
US-5227492-A Anticholesterol agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
US-5166429-A Enzyme inhibitors of acylcoenzyme A cholesterol transferase as anticholesterol agents or antideposit agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
US-5091419-A Anticholesterol agent YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-02-25 US disclosed