SCHEMBL17244704

SCHEMBL17244704

COc1ccccc1CCC(=O)CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53
▸ ALOX5 P09917 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HPGD P15428 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7331644 0.92 MTNR1A (0.60) MTNR1AMTNR1BALOX5TAAR1CASP3
SCHEMBL30800373 0.92 MTNR1A (0.60) MTNR1AMTNR1BALOX5TAAR1CASP3
SCHEMBL362209 0.90 LMNA (0.59) LMNAMTNR1AMTNR1BTAAR1HPGD
SCHEMBL29590071 0.90 LMNA (0.59) LMNAMTNR1AMTNR1BTAAR1HPGD
Hydrochloric Acid SCHEMBL7413528 0.88 LMNA (0.57) LMNAMTNR1AMTNR1BTAAR1HPGD
SCHEMBL17478031 0.87 MTNR1A (0.56) MTNR1AMTNR1BTAAR1HPGD
SCHEMBL17244703 0.85 IAPP (0.55) MTNR1AMTNR1BALOX5TAAR1CASP3
SCHEMBL13545173 0.83 MTNR1A (0.55) MTNR1AMTNR1BTAAR1CASP3CASP7
SCHEMBL3264881 0.83 HPGD (0.57) LMNAMTNR1AMTNR1BTAAR1HPGD
SCHEMBL1206771 0.82 LTB4R (0.56) LMNAMTNR1AMTNR1BTAAR1HPGD

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
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 — — EP disclosed
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