SCHEMBL25237358

SCHEMBL25237358

COc1ccc(C(=O)N2CCN(CCCCc3ccccc3)CC2)cc1OC

nearest known ligand 0.90

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.90
MEN1 O00255 2/20 0.90
SIGMAR1 Q99720 4/20 0.68
EBP Q15125 2/20 0.61
TMEM97 Q5BJF2 1/20 0.61
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
DRD2 P14416 1/20 0.60
GAA P10253 2/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.58
TLR9 Q9NR96 1/20 0.58
TLR8 Q9NR97 1/20 0.58
TLR7 Q9NYK1 1/20 0.58
EBPL Q9BY08 1/20 0.56

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
SCHEMBL31178332 1.00 KMT2A (0.90) KMT2AMEN1SIGMAR1EBPTMEM97
SCHEMBL25286763 0.97 KMT2A (0.96) KMT2AMEN1SIGMAR1EBPTMEM97
SCHEMBL31178374 0.97 KMT2A (0.96) KMT2AMEN1SIGMAR1EBPTMEM97
SCHEMBL9512949 0.92 KMT2A (0.83) KMT2AMEN1SIGMAR1EBPTMEM97
SCHEMBL31178415 0.92 KMT2A (0.83) KMT2AMEN1SIGMAR1EBPTMEM97
SCHEMBL31178346 0.88 KMT2A (0.77) KMT2AMEN1SIGMAR1EBPTMEM97
SCHEMBL25242104 0.88 KMT2A (0.77) KMT2AMEN1SIGMAR1EBPTMEM97
SCHEMBL25280464 0.87 MEN1 (0.69) KMT2AMEN1SIGMAR1DRD2TSHR
SCHEMBL31178342 0.87 MEN1 (0.69) KMT2AMEN1SIGMAR1DRD2TSHR
SCHEMBL18754014 0.85 KMT2A (0.76) KMT2AMEN1SIGMAR1EBPTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452941-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-10-30 EP disclosed
WO-2023117119-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-06-29 WO disclosed
WO-2023117119-A1 ACTIVE INGREDIENTS WITH SIALAGOGUE AND TINGLING/FIZZY EFFECT, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-06-29 WO disclosed