SCHEMBL29836089

SCHEMBL29836089

O=C1CCc2ccccc2S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CES1 P23141 1/20 0.43
CYP2A6 P11509 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP1A2 P05177 1/20 0.37
PDPK1 O15530 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL6238887 1.00 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ECES1CYP2A6
Hydrochloric Acid SCHEMBL28694708 0.98 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ECES1CYP2A6
Sulfuric Acid SCHEMBL30114767 0.90 CES1 (0.41) ALDH1A1HPGDKDM4ECES1CYP2A6
SCHEMBL10437705 0.87 CYP2A6 (0.45) ALDH1A1HPGDKDM4ECES1CYP2A6
SCHEMBL4488551 0.83 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ECES1CYP2A6
SCHEMBL6310183 0.80 DYRK1A (0.38) ALDH1A1HPGDKDM4ETSHR
SCHEMBL1498003 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ECES1CYP2A6
SCHEMBL4495800 0.73 TSHR (0.52) ALDH1A1HPGDKDM4ECYP2A6MEN1
SCHEMBL12034389 0.73 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ECES1CYP2A6
SCHEMBL13950595 0.73 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ECES1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037501-B2 Photocurable ink composition and image recording method FUJIFILM CORPORATION (JP) 2024-07-16 US claimed
EP-3950856-B1 PHOTOCURABLE INK COMPOSITION AND IMAGE RECORDING METHOD FUJIFILM CORP (JP) 2024-04-17 EP claimed
US-12037501-B2 Photocurable ink composition and image recording method FUJIFILM CORPORATION (JP) 2024-07-16 US disclosed
EP-3950856-B1 PHOTOCURABLE INK COMPOSITION AND IMAGE RECORDING METHOD FUJIFILM CORP (JP) 2024-04-17 EP disclosed
CN-111936667-B Method for producing laminate 大金工业株式会社 2022-12-13 CN disclosed
CN-115227880-A Drug-coated balloon catheter for body lumens 优敦力公司 2022-10-25 CN disclosed
CN-114615891-A High-potency formulations based on 2- [ (2, 4-dichlorophenyl) methyl ] -4,4' -dimethyl-3-isoxazolidone and a pre-emergent herbicide 拜耳公司 2022-06-10 CN disclosed