SCHEMBL9745966

SCHEMBL9745966

COC(COc1ccc(C=O)cc1)OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
CYP2A6 P11509 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A3 P47895 1/20 0.48
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 3/20 0.42
RAB9A P51151 1/20 0.41
DRD1 P21728 1/20 0.41
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
TYR P14679 1/20 0.39
NPC1 O15118 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL6602864 0.82 ALDH1A1 (0.50) ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD
SCHEMBL11390540 0.82 ALDH1A1 (0.54) ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD
SCHEMBL970318 0.81 ALDH1A3 (0.57) ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD
SCHEMBL11383524 0.81 ALDH1A1 (0.57) ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD
SCHEMBL17070011 0.80 ALDH1A1 (0.50) ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD
SCHEMBL11377574 0.80 ALDH1A1 (0.55) ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD
SCHEMBL11385610 0.80 NPC1 (0.56) ALDH1A1SMN1; SMN2KDM4ERAB9ATSHR
SCHEMBL9253053 0.79 ALDH1A3 (0.55) ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD
SCHEMBL11388614 0.78 ALDH1A1 (0.54) ALDH1A1CYP2A6SMN1; SMN2MAPTHPGD
SCHEMBL7931690 0.78 CYP2C9 (0.60) ALDH1A1MAPTHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594625-A Method for preparing bazedoxifene 济南明微医药科技有限公司(CN) 2023-01-13 CN disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
EP-0252150-B1 PHOTOSENSITIVE RESIN COMPOSITION FOR SCREEN PROCESS Japan as represented by Director-General, Agency of Industrial Science and Technology (JP) 1992-12-30 EP disclosed
EP-0252150-A1 PHOTOSENSITIVE RESIN COMPOSITION FOR SCREEN PROCESS Japan as represented by Director-General, Agency of Industrial Science and Technology (JP) 1988-01-13 EP disclosed
US-4287335-A WHEREIN SAID COMPOUND IS A STYRYLPYRIDINIUM SALT OR A STYRYLQUINOLINIUM SALT USEFUL IN PRODUCING A PHOTOSENSITIVE RESIN AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1981-09-01 US disclosed
US-4272620-A Polyvinyl alcohol-styrylpyridinium photosensitive resins and method for manufacture thereof AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1981-06-09 US disclosed