SCHEMBL4304084

SCHEMBL4304084

CCOC(=O)c1cccc(-c2c(C)cc(O)cc2C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK10 P53779 1/20 0.49
KMT2A Q03164 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48

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
SCHEMBL1707844 0.85 CYP3A4 (0.45) TSHRCYP3A4MEN1MAPTMAPK10
SCHEMBL20763545 0.77 TSHR (0.59) TSHRCYP3A4MEN1USP2CYP1A2
SCHEMBL574192 0.76 TSHR (0.68) TSHRCYP3A4MEN1USP2CYP1A2
SCHEMBL30968707 0.76 TSHR (0.68) TSHRCYP3A4MEN1USP2CYP1A2
SCHEMBL23689805 0.76 TSHR (0.62) TSHRCYP3A4MEN1USP2CYP1A2
SCHEMBL23925917 0.75 TSHR (0.53) TSHRCYP3A4MAPTALOX15CA12
SCHEMBL1235309 0.75 CA12 (0.67) TSHRCYP3A4MEN1USP2CYP1A2
Ammonia Solution, Strong SCHEMBL29087129 0.75 TSHR (0.66) TSHRCYP3A4MEN1USP2CYP1A2
SCHEMBL29617021 0.72 TSHR (0.80) TSHRCYP3A4MEN1USP2CYP1A2
SCHEMBL3683272 0.72 TSHR (0.80) TSHRCYP3A4MEN1USP2CYP1A2

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-2011788-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2009-01-07 EP disclosed