SCHEMBL9060206

SCHEMBL9060206

CCC(=O)COc1ccccc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
NAMPT P43490 1/20 0.56
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 3/20 0.52
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
ALOX15 P16050 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11960672 0.86 PTGDR2 (0.44) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL5000594 0.83 NPSR1 (0.67) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL26633895 0.82 NPSR1 (0.52) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL30301257 0.82 NPSR1 (0.55) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL10257400 0.82 NPSR1 (0.55) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL4855773 0.81 NPSR1 (0.57) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL29755017 0.81 NPSR1 (0.57) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL7898212 0.81 NPSR1 (0.57) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL2108882 0.81 NPSR1 (0.53) NPSR1NAMPTALDH1A1KDM4EGAA
SCHEMBL7898197 0.81 USP2 (0.56) NPSR1NAMPTALDH1A1KDM4EGAA

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
JP-8291101-A None JP disclosed
JP-H08291101-A 1-(2-TERT-BUTYLPHENOXY)-2-ALKANONES AND PERFUME COMPOSITION CONTAINING THE SAME KAO CORP 1996-11-05 JP disclosed