SCHEMBL23110802

SCHEMBL23110802

Cc1cc(CCCCCCBr)cs1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
LTB4R Q15722 4/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL79332 0.92 POLB (0.33) DAOPOLBTP53MAPT
SCHEMBL15396902 0.82 PTGS2 (0.47) TP53
SCHEMBL2607172 0.82 PTGS2 (0.47) TP53
SCHEMBL19304397 0.82 PTGS2 (0.47) TP53
SCHEMBL18382236 0.82 PTGS2 (0.47) TP53
SCHEMBL10587640 0.82 PTGS2 (0.47) TP53
SCHEMBL9769190 0.81 LTB4R (0.33) DAOLTB4RPOLBTP53MAPT
SCHEMBL9769261 0.80 PTGS2 (0.45) TP53
SCHEMBL14365850 0.78 LTB4R (0.34) DAOLTB4RPOLB
SCHEMBL1637851 0.78 HPGD (0.45) DAOPOLBTP53MAPT

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
WO-2021049539-A1 SENSOR MATERIAL FOR DETECTING TASTE COMPONENT, AND DETECTION METHOD 国立大学法人 東京大学 2021-03-18 WO disclosed