SCHEMBL9694499

SCHEMBL9694499

COc1ccccc1C1C=COC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
USP2 O75604 1/20 0.45
CYP19A1 P11511 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2C P28335 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
HSD11B1 P28845 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL6288864 0.71 MAPK1 (0.43) L3MBTL1CA1CA2ALDH1A1MAPT
SCHEMBL2302687 0.69 ALDH1A1 (0.38) MEN1KMT2ACYP19A1HTR2BCA2
SCHEMBL27376136 0.68 HTR2C (0.41) MEN1KMT2AUSP2CYP19A1L3MBTL1
SCHEMBL6949968 0.67 CA1 (0.43) MEN1KMT2AUSP2L3MBTL1HTR2C
SCHEMBL12749157 0.65 CYP19A1 (0.49) MEN1KMT2AUSP2CYP19A1L3MBTL1
SCHEMBL14939263 0.65 RAB9A (0.57) MEN1KMT2AUSP2CYP19A1L3MBTL1
SCHEMBL31483441 0.64 ALDH1A1 (0.51) MEN1KMT2AUSP2CYP19A1L3MBTL1
SCHEMBL18151388 0.64 MAP1LC3B (0.56) MEN1KMT2AUSP2CYP19A1L3MBTL1
SCHEMBL13074085 0.64 CYP19A1 (0.50) MEN1KMT2AUSP2CYP19A1L3MBTL1
SCHEMBL13036870 0.64 CYP19A1 (0.50) MEN1KMT2AUSP2CYP19A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304139-B1 PROCESS FOR MAKING 5-HYDROXY-3-HYDROXYMETHYL-2-PHENYLFURAN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-11 EP claimed
EP-0304139-A1 Process for making 5-hydroxy-3-hydroxymethyl-2-phenylfuran derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP claimed
EP-0266980-B1 PHARMACEUTICAL COMPOSITIONS, COMPRISING A 2,4-DIPHENYL-1,3-DIOXANE DERIVATIVE AND AN INHIBITOR OF THROMBOXANE A2 SYNTHESIS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-28 EP disclosed
EP-0304138-B1 PROCESS FOR MAKING 1,3-DIOXANE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-04 EP disclosed
EP-0304139-B1 PROCESS FOR MAKING 5-HYDROXY-3-HYDROXYMETHYL-2-PHENYLFURAN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-11 EP disclosed
EP-0304139-A1 Process for making 5-hydroxy-3-hydroxymethyl-2-phenylfuran derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed
EP-0304138-A1 Process for making 1,3-dioxane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 EP disclosed
EP-0266979-A2 Therapeutic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0266980-A2 Pharmaceutical compositions, comprising a 2,4-diphenyl-1,3-dioxane derivative and an inhibitor of thromboxane A2 synthesis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed