SCHEMBL11446385

SCHEMBL11446385

CC(=O)c1c(C)c2c(c(C)c1O)OC(C)(C)C(C)C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PTGES O14684 2/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ BRCA1 P38398 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP2C8 P10632 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL2140315 0.67 PTGS1 (0.54) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL2597029 0.67 PTGS1 (0.54) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL4274818 0.64 PTGS1 (0.47) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL11446070 0.63 CYP3A4 (0.34) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL11753142 0.62 MEN1 (0.43) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL4278705 0.62 PTGS1 (0.48) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL8101375 0.61 PTGS1 (0.38) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL4274823 0.61 PTGS1 (0.47) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL8376063 0.61 MEN1 (0.44) CYP3A4PTGS1PTGS2CYP1A2TSHR
SCHEMBL4482722 0.61 PTGS1 (0.47) CYP3A4PTGS1PTGS2CYP1A2TSHR

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
US-4208426-A Pyranochromone derivatives and therapeutic composition comprising same for treatment of allergic diseases EISAI CO., LTD. (JP) 1980-06-17 — — US disclosed
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