SCHEMBL16976282

SCHEMBL16976282

COC(=O)CCCCCC1(C)C(C)=Nc2ccc3c(S(=O)(=O)O)cccc3c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
TTR P02766 1/20 0.32
DYRK1A Q13627 2/20 0.32
FABP4 P15090 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32

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
SCHEMBL14781529 0.87 FOLH1 (0.35) DYRK1AALDH1A1CA1CA2
SCHEMBL17483223 0.82 DYRK1A (0.33) DYRK1AALDH1A1CA1CA2PTPRC
SCHEMBL17485222 0.78 FOLH1 (0.32) CYP1A2HDAC4HDAC10HDAC6HDAC5
SCHEMBL10090477 0.77 ALDH1A1 (0.35) DYRK1ALMNAALDH1A1CA1CA2
SCHEMBL13566468 0.77
SCHEMBL1714566 0.76 FOLH1 (0.36) FABP4ALDH1A1
SCHEMBL13264903 0.76 ALDH1A1 (0.36) DYRK1ALMNAALDH1A1CA1CA2
SCHEMBL17483208 0.74 HDAC8 (0.36) LMNAALDH1A1CNR2CA1CA2
SCHEMBL20776003 0.73 MAPT (0.34) DYRK1ALMNAALDH1A1CA1CA2
SCHEMBL14566372 0.73 MEN1 (0.55) CYP1A2TTRALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160033520-A1 FLUORESCENT COMPOUNDS BIOTIUM, INC. 2016-02-04 US disclosed
US-9097667-B2 Fluorescent compounds BIOTIUM, INC. (US) 2015-08-04 US disclosed