SCHEMBL18559012

SCHEMBL18559012

C/C=C\c1c(CCC(=O)c2ccc(OCCN(C)C)cc2O)ccc(O)c1OCCCC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.46
▸ MAOB P27338 6/20 0.38
▸ THRA P10827 7/20 0.37
▸ THRB P10828 7/20 0.37
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35

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
SCHEMBL18559013 0.87 THRA (0.44) MAOBTHRATHRB
SCHEMBL18559091 0.78 SLC5A1 (0.46) CTSKMAOBTHRATHRB
SCHEMBL17536185 0.74 BCHE (0.40) CTSK
SCHEMBL17536186 0.74 BCHE (0.40) CTSK
Hydrochloric Acid SCHEMBL17536188 0.73 BCHE (0.40) CTSK
Hydrochloric Acid SCHEMBL17536187 0.73 BCHE (0.40) CTSK
SCHEMBL18559089 0.67 MAOB (0.38) MAOBTHRATHRB
SCHEMBL13907033 0.65 MAOB (0.50) MAOBTHRATHRB
SCHEMBL30448394 0.63 CTSK (1.00) CTSKMAOB
SCHEMBL7188134 0.62 CTSK (0.71) CTSKMAOB

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-9580399-B2 Geranyl flavonoid derivative with improved water solubility, a method for preparing the same, and a method for treating cancer using the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-02-28 — — US disclosed
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