SCHEMBL13864965

SCHEMBL13864965

COC(=O)c1cccc(C(=O)Oc2c(C)cc(C(C)(c3ccccc3)c3cc(C)c(C)c(C)c3)cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ PPARA Q07869 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ TCF4 P15884 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ POLB P06746 2/20 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
SCHEMBL13864904 0.92 TSHR (0.46) TSHRRAB9APPARAALDH1A1HPGD
SCHEMBL13865025 0.89 EGFR (0.46) TSHRRAB9APPARAALDH1A1HPGD
SCHEMBL13864987 0.89 TSHR (0.45) TSHRRAB9APPARAALDH1A1HPGD
SCHEMBL13864962 0.87 LOXL2 (0.42) TSHRRAB9APPARAALDH1A1MAPT
SCHEMBL140650 0.86 TSHR (0.45) TSHRRAB9APPARAALDH1A1HPGD
SCHEMBL142008 0.85 MAPT (0.38) RAB9AALDH1A1GAAPKMMAPT
SCHEMBL13865009 0.85 SLC6A3 (0.40) TSHRPPARAALDH1A1HPGDKDM4E
SCHEMBL17756688 0.83 LOXL2 (0.45) TSHRRAB9APPARAALDH1A1KDM4E
SCHEMBL13865019 0.81 NOTUM (0.40) TSHRRAB9APPARAALDH1A1MAPT
SCHEMBL13864905 0.81 TSHR (0.47) TSHRRAB9APPARAKDM4EMAPT

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-20090123854-A1 IMAGE FORMING METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2009-05-14 — — US disclosed
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