SCHEMBL9901161

SCHEMBL9901161

CCCCCCCCCCc1ccc(-n2c3ccccc3c3cc4c(-c5ccccc5)c5cc6c(cc5c(-c5ccccc5)c4cc32)c2ccccc2n6-c2ccc(CCCCCCCCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
HTR2A P28223 1/20 0.38
EP300 Q09472 1/20 0.38

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
SCHEMBL14107128 0.90 RORA (0.48) HSD11B1RORARORCRORBKDM4E
SCHEMBL18858863 0.90 RORA (0.48) HSD11B1RORARORCRORBKDM4E
SCHEMBL552038 0.90 RORA (0.48) HSD11B1RORARORCRORBKDM4E
SCHEMBL15385939 0.89 RORA (0.47) HSD11B1RORARORCRORBKDM4E
SCHEMBL17248306 0.85 KDM4E (0.46) HSD11B1RORARORCRORBKDM4E
SCHEMBL15165490 0.85 MGLL (0.50) HSD11B1RORARORCRORBKDM4E
SCHEMBL261799 0.85 HSD11B1 (0.44) HSD11B1RORARORCRORBKDM4E
SCHEMBL262526 0.85 HSD11B1 (0.44) HSD11B1RORARORCRORBKDM4E
SCHEMBL9976724 0.84 HSD11B1 (0.48) HSD11B1RORARORCRORBMAPT
SCHEMBL9901489 0.82 RORA (0.42) HSD11B1RORARORCRORBKDM4E

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
EP-2649073-A2 PROCESS FOR THE PREPARATION OF SEMICONDUCTOR MATERIALS, COMPOUNDS AND THEIR USE The University Of Manchester (GB) 2013-10-16 EP disclosed
WO-2012076886-A2 NOVEL PROCESS AND COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2012-06-14 WO disclosed