SCHEMBL6989159

SCHEMBL6989159

CC(CO)CC(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
REN P00797 2/20 0.44
RECQL P46063 1/20 0.43
ACACB O00763 3/20 0.42
LMNA P02545 2/20 0.39
EPHX1 P07099 1/20 0.39
COPS5 Q92905 1/20 0.38
TRPA1 O75762 2/20 0.38
TYR P14679 1/20 0.38
EPHX2 P34913 1/20 0.37
GRIA4 P48058 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
SCHEMBL444104 0.91 TSHR (0.55) TP53TSHREBPSIGMAR1REN
SCHEMBL8967452 0.91 TSHR (0.55) TP53TSHREBPSIGMAR1REN
SCHEMBL8323180 0.91 TSHR (0.55) TP53TSHREBPSIGMAR1REN
SCHEMBL17706564 0.81 TP53 (0.46) TP53TSHREBPSIGMAR1REN
SCHEMBL11394881 0.78 REN (0.50) TP53TSHREBPSIGMAR1REN
SCHEMBL6990424 0.78 TRPA1 (0.44) TSHRACACBLMNAEPHX1COPS5
SCHEMBL110694 0.77 TRPA1 (0.59) SIGMAR1TRPA1
SCHEMBL6381994 0.77 TSHR (0.52) TP53TSHREBPSIGMAR1RECQL
SCHEMBL17171333 0.77 TRPA1 (0.59) SIGMAR1TRPA1
SCHEMBL6044363 0.76 TP53 (0.51) TP53TSHREBPSIGMAR1REN

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
EP-0908439-B1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 2003-01-02 EP disclosed
EP-0908439-A1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 1999-04-14 EP disclosed