SCHEMBL8580573

SCHEMBL8580573

Cc1cc(C(C)(C)C)ccc1CC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.71
RXRB P28702 3/20 0.71
NR1H4 Q96RI1 10/20 0.67
RXRG P48443 2/20 0.56
EPHX2 P34913 2/20 0.50
NPSR1 Q6W5P4 1/20 0.46
SRC P12931 1/20 0.45
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL11599008 0.87 RXRA (0.56) RXRARXRBNR1H4RXRGEPHX2
SCHEMBL14076377 0.85 RXRA (0.54) RXRARXRBNR1H4RXRGEPHX2
SCHEMBL17899450 0.84 RXRA (0.72) RXRARXRBNR1H4RXRGNPSR1
SCHEMBL14076373 0.82 TDP1 (0.51) RXRARXRBNR1H4RXRGEPHX2
SCHEMBL7795903 0.81 CYP2D6 (0.59) RXRARXRBNR1H4RXRGCYP2C19
SCHEMBL3621461 0.80 NR1H4 (0.67) RXRARXRBNR1H4RXRGNPSR1
SCHEMBL3567193 0.79 TDP1 (0.51) RXRARXRBNR1H4RXRGEPHX2
SCHEMBL1257788 0.79 SRC (0.62) RXRARXRBNR1H4RXRGNPSR1
SCHEMBL13580640 0.77 NR1H4 (0.59) RXRARXRBNR1H4RXRGEPHX2
SCHEMBL11144278 0.77 RXRA (0.55) RXRARXRBNR1H4RXRGEPHX2

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
US-5800897-A Air freshener composition containing a fiber pad EASTMAN CHEMICAL COMPANY (US) 1998-09-01 US disclosed
WO-1997026926-A1 AIR FRESHENER COMPOSITION CONTAINING A FIBER PAD EASTMAN CHEMICAL COMPANY (US) 1997-07-31 WO disclosed