SCHEMBL20058352

SCHEMBL20058352

CCc1ccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7cc(C)ccc76)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGER4 P35408 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 2/20 0.33
NPY5R Q15761 1/20 0.33
MAPK1 P28482 1/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL20058327 0.92 KDM4E (0.36) AKR1C4AKR1C3AKR1C2AKR1C1PTGER4
SCHEMBL13872357 0.91 KDM4E (0.38) AKR1C4AKR1C3AKR1C2AKR1C1PTGER4
SCHEMBL20058326 0.88 KDM4E (0.35) AKR1C4AKR1C3AKR1C2AKR1C1PTGER4
SCHEMBL13872338 0.86 KDM4E (0.38) AKR1C4AKR1C3AKR1C2AKR1C1PTGER4
SCHEMBL9920734 0.86 KDM4E (0.38) AKR1C4AKR1C3AKR1C2AKR1C1PTGER4
SCHEMBL12612080 0.86 NLRP3 (0.37) KDM4EATML3MBTL1POLBLMNA
SCHEMBL20107148 0.86 AKR1C4 (0.35) AKR1C4AKR1C3AKR1C2AKR1C1PTGER4
SCHEMBL20107145 0.85 MAPKAPK2 (0.36) POLBMAPTTP53
SCHEMBL20058306 0.85 KDM4E (0.37) AKR1C4AKR1C3AKR1C2AKR1C1PTGER4
SCHEMBL13872311 0.85 KDM4E (0.39) AKR1C4AKR1C3AKR1C2AKR1C1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942171-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2018-04-18 EP disclosed