SCHEMBL28508798

SCHEMBL28508798

OC(CCc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.57
CYP1A2 P05177 2/20 0.50
CYP2A6 P11509 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
PDPK1 O15530 1/20 0.43
SLC6A4 P31645 1/20 0.43
CHRM2 P08172 2/20 0.42
HTR1A P08908 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 2/20 0.42
OPRM1 P35372 2/20 0.42
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 1/20 0.42
SOX18 P35713 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HCAR2 Q8TDS4 1/20 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
SCHEMBL17023194 0.86 SLC13A5 (0.53) SLC13A5CYP1A2CYP2A6SIGMAR1PDPK1
SCHEMBL28065368 0.79 SMN1; SMN2 (0.52) CYP1A2SIGMAR1CHRM2HTR1ACYP2D6
SCHEMBL29560700 0.74 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1SLC6A4HRH3
SCHEMBL6240981 0.74 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1SLC6A4HRH3
SCHEMBL15059232 0.74 CYP1A2 (0.50) SLC13A5CYP1A2CYP2A6SIGMAR1HRH3
SCHEMBL22920703 0.74 CYP1A2 (0.55) SLC13A5CYP1A2CYP2A6SIGMAR1SLC6A4
SCHEMBL28586068 0.74 ALDH1A1 (0.50) SLC13A5SIGMAR1PDPK1CHRM2HTR1A
SCHEMBL16595060 0.73 SLC13A5 (0.62) SLC13A5CYP1A2CYP2A6SIGMAR1PDPK1
SCHEMBL8670812 0.73 PLAU (0.59) SLC13A5CYP1A2CYP2A6SIGMAR1PDPK1
SCHEMBL17288660 0.72 SLC13A5 (0.47) SLC13A5CYP1A2CYP2A6SIGMAR1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108292094-B Resist pattern forming method and resist material 国立大学法人大阪大学 2021-07-20 CN claimed
CN-108292094-B Resist pattern forming method and resist material 国立大学法人大阪大学 2021-07-20 CN disclosed
CN-112272798-A Resist pattern forming method 国立大学法人大阪大学 2021-01-26 CN disclosed