SCHEMBL28330441

SCHEMBL28330441

C=C(CC)C(=O)Oc1ccccc1CCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
PPARD Q03181 1/20 0.43
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL27581710 0.88 L3MBTL1 (0.43) THRATHRBNPSR1
SCHEMBL7065312 0.88 THRA (0.53) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL16857558 0.88 THRA (0.67) THRATHRBLTB4RLTB4R2PPARG
SCHEMBL4596507 0.85 THRA (0.51) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL31572664 0.85 THRA (0.51) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL7065315 0.83 THRA (0.49) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL6851060 0.83 THRA (0.49) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL29581614 0.81 THRA (0.53) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL729676 0.81 THRA (0.53) THRATHRBPPARDLTB4RLTB4R2
SCHEMBL4032384 0.80 PTGS2 (0.54) THRATHRBPPARDMTNR1AMTNR1B

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
CN-110494413-A Reduce the compound and application thereof of stench perception CHEMCOM SA 2019-11-22 CN disclosed