SCHEMBL20116769

SCHEMBL20116769

Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)cc1-c1cc(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.36
USP14 P54578 3/20 0.33
TDP2 O95551 2/20 0.33
PPARG P37231 1/20 0.33
PTGER4 P35408 1/20 0.33
AR P10275 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CSNK1D P48730 1/20 0.31

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
SCHEMBL20115889 0.94 FNTA (0.36) RORCUSP14TDP2PPARGPTGER4
SCHEMBL19380368 0.93 USP14 (0.36) RORCUSP14TDP2PTGER4AR
SCHEMBL20116770 0.85 USP14 (0.35) RORCUSP14PPARGARSLC22A12
SCHEMBL10090539 0.84 L3MBTL1 (0.40) RORCPPARG
SCHEMBL17424694 0.81 RORC (0.40) RORCPTGER4CSNK1D
SCHEMBL26831723 0.81 RORC (0.40) RORCPTGER4CSNK1D
SCHEMBL17424684 0.81 RORC (0.40) RORCPTGER4CSNK1D
SCHEMBL17424670 0.81 RORC (0.40) RORCPTGER4CSNK1D
SCHEMBL20116772 0.81 RORC (0.39) RORCPTGER4
SCHEMBL24617044 0.80 KIF11 (0.45) RORCUSP14PPARGPTGER4SLC22A12

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-3119770-B1 NEW DIBENZOFURANS AND DIBENZOTHIOPHENES IDEMITSU KOSAN CO (JP) 2018-05-02 EP disclosed