SCHEMBL10876870

SCHEMBL10876870

COc1ccc(C(=O)c2[nH]c(=O)[nH]c2COCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ACHE P22303 1/20 0.47
▸ VNN1 O95497 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10877366 0.83 PDE3B (0.49) NPC1RAB9AMAPTPDE3BPDE3A
SCHEMBL10877206 0.83 NPC1 (0.50) NPC1RAB9AACHEMAPTBRD4
SCHEMBL10877977 0.80 PDE3B (0.46) NPC1RAB9AMAPTPDE3BPDE3A
SCHEMBL10950631 0.80 PDE3B (0.44) PDE3BPDE3ASMN1; SMN2PLA2G4B
SCHEMBL10876859 0.79 PDE3B (0.65) RAB9AMAPTPDE3BPDE3ACES2
SCHEMBL10877786 0.79 PDE3B (0.50) RAB9AMAPTPDE3BPDE3ASMN1; SMN2
SCHEMBL10875411 0.79 PDE3B (0.45) NPC1RAB9AMAPTPDE3BPDE3A
SCHEMBL10950776 0.79 PDE3B (0.45) NPC1RAB9AMAPTPDE3BPDE3A
SCHEMBL10874712 0.78 PDE3B (0.52) NPC1RAB9AMAPTELANEPDE3B
SCHEMBL10880137 0.78 PDE3B (0.49) RAB9AMAPTBRD4PDE3BPDE3A

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
EP-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP disclosed
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP disclosed
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