SCHEMBL20004203

SCHEMBL20004203

CCc1ccc(C(C)(C)c2oc3cc(C#N)ccc3c2C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CNR2 P34972 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CNR1 P21554 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL898287 0.91 MAPT (0.33) MAPTTSHRL3MBTL1SMN1; SMN2MEN1
SCHEMBL898491 0.81 ALK (0.45) CSNK1G2
SCHEMBL24676748 0.79 L3MBTL1 (0.37) L3MBTL1ARCSNK1DCSNK1G2
SCHEMBL17434476 0.78 TTR (0.35) MAPTSMN1; SMN2CNR2CYP3A4ALOX15
SCHEMBL897523 0.74 MAPT (0.36) MAPTTSHRL3MBTL1SMN1; SMN2CNR2
SCHEMBL17448484 0.71 ALK (0.42) CSNK1G2
SCHEMBL10246563 0.70 ALK (0.46) CSNK1G2
Iodide SCHEMBL898117 0.70 ALK (0.46) CSNK1G2
Iodide SCHEMBL29962380 0.70 ALK (0.46) CSNK1G2
SCHEMBL24676630 0.70 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2MEN1ALDH1A1KMT2A

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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed