SCHEMBL11580683

SCHEMBL11580683

O=C(O)CCC1=CC=CCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.35
FFAR1 O14842 4/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
HPGD P15428 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL11580290 0.93 FFAR1 (0.39) KEAP1FFAR1THRATHRBNPSR1
SCHEMBL11578489 0.91 KEAP1 (0.36) KEAP1FFAR1NPSR1FFAR4
SCHEMBL11594961 0.79 NPSR1 (0.41) KEAP1FFAR1NPSR1
SCHEMBL11579333 0.79
SCHEMBL16755363 0.78 POLB (0.37) FFAR1THRATHRBNPSR1HPGD
SCHEMBL16755364 0.78 POLB (0.37) FFAR1THRATHRBNPSR1HPGD
SCHEMBL28574203 0.76 POLB (0.36) FFAR1NPSR1HPGD
SCHEMBL9623345 0.76 HPGD (0.46) FFAR1NPSR1HPGD
SCHEMBL29210942 0.75
SCHEMBL12973206 0.74 ALDH1A1 (0.37)

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
US-4098881-A COMPOSITIONS TO CONTROL THE CHRONIC EFFECTS OF EXPOSURE TO SUNLIGHT COMPRISING CONJUGATED DIENES THE PROCTER & GAMBLE COMPANY (US) 1978-07-04 US disclosed