SCHEMBL28037389

SCHEMBL28037389

CC1(COCc2cccc(-c3ccccc3)c2COCC2(C)COC2)COC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 11/20 0.35
PDCD1 Q15116 1/20 0.35
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
TACR1 P25103 1/20 0.33
DHFR P00374 1/20 0.32
DCPS Q96C86 1/20 0.32
DPP4 P27487 1/20 0.32
FFAR1 O14842 1/20 0.32
FOLH1 Q04609 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL21980526 0.89 TACR1 (0.42) CD274PDCD1IRAK1IRAK4CHRNB2
SCHEMBL15671667 0.85 CD274 (0.35) CD274PDCD1CHRNB2CHRNA4TACR1
SCHEMBL16196279 0.81 DHFR (0.37) IRAK1IRAK4TACR1DHFRDCPS
SCHEMBL2345310 0.75 CD274 (0.43) CD274PDCD1CHRNB2CHRNA4TACR1
SCHEMBL5423335 0.74 TSHR (0.48) TACR1DHFRDCPS
SCHEMBL29365573 0.73 TACR1 (0.40) CD274PDCD1CHRNB2CHRNA4TACR1
SCHEMBL21980541 0.73 TACR1 (0.40) CD274PDCD1CHRNB2CHRNA4TACR1
SCHEMBL30695977 0.72 DHFR (0.47) DHFRDCPSHTR7
SCHEMBL29276602 0.70 DHFR (0.46) IRAK1IRAK4DHFRDCPSFFAR1
SCHEMBL12101385 0.69 FFAR1 (0.38) IRAK1IRAK4TACR1DHFRDCPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110741463-B Method for producing substrate with fine concave-convex pattern, resin composition, and laminate 三井化学株式会社 2024-02-20 CN disclosed
CN-113574086-B Photocurable composition, method for producing uneven structure, method for forming fine uneven pattern, and uneven structure 三井化学株式会社 2023-11-07 CN disclosed
CN-113574086-A Photocurable composition, method for producing uneven structure, method for forming fine uneven pattern, and uneven structure 三井化学株式会社 2021-10-29 CN disclosed
CN-107429210-B Medical device, fluorine-containing cyclic olefin polymer composition, and cell culture method 三井化学株式会社 2021-05-28 CN disclosed
CN-111565911-A Method for producing uneven structure, laminate for use in method for producing uneven structure, and method for producing laminate 三井化学株式会社 2020-08-21 CN disclosed
CN-111183395-A Resin material for forming underlayer film, resist underlayer film, method for producing resist underlayer film, and laminate 三井化学株式会社 2020-05-19 CN disclosed
CN-110709774-A Material for forming underlayer film, resist underlayer film, method for producing resist underlayer film, and laminate 三井化学株式会社 2020-01-17 CN disclosed
CN-105164559-A Optical film MITSU CHEMICALS INC KEIO UNIVERSITY 2015-12-16 CN disclosed