SCHEMBL29371017

SCHEMBL29371017

CCCCOc1c2ccccc2cc2ccc(CC)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 1/20 0.46
SLC2A1 P11166 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PGR P06401 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
CNR2 P34972 2/20 0.39
KCNH2 Q12809 2/20 0.39
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
TLR8 Q9NR97 1/20 0.38
HTR1B P28222 1/20 0.37

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
SCHEMBL23089902 1.00 CYP1A2 (0.46) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL23089949 0.96 CYP1A2 (0.45) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL29372406 0.96 CYP1A2 (0.45) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL29368346 0.94 CYP1A2 (0.44) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL23089953 0.94 CYP1A2 (0.44) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL29368501 0.94 CYP1A2 (0.44) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL23089942 0.94 CYP1A2 (0.44) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL23271891 0.94 CYP1A2 (0.44) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL23089929 0.94 CYP1A2 (0.44) CYP1A2CYP2A6SLC2A1TDP1GAA
SCHEMBL29371219 0.94 CYP1A2 (0.44) CYP1A2CYP2A6SLC2A1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109471330-B Photosensitive composition and photopolymerization initiator used therein 东京应化工业株式会社 2023-08-29 CN disclosed
CN-106970503-B Photosensitive composition 东京应化工业株式会社 2022-02-01 CN disclosed