SCHEMBL11580290

SCHEMBL11580290

O=C(O)CCC1=CC=CCCCCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33
EPHX1 P07099 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL11580683 0.93 KEAP1 (0.35) FFAR1THRATHRBHPGDFFAR4
SCHEMBL11578489 0.87 KEAP1 (0.36) FFAR1FFAR4KEAP1SMN1; SMN2NPSR1
SCHEMBL16755364 0.82 POLB (0.37) FFAR1THRATHRBHPGDTAAR1
SCHEMBL16755363 0.82 POLB (0.37) FFAR1THRATHRBHPGDTAAR1
SCHEMBL28574203 0.81 POLB (0.36) FFAR1HPGDTAAR1ALDH1A1EPHX1
SCHEMBL11579587 0.80
SCHEMBL11578780 0.80
SCHEMBL11615931 0.78 TAAR1 (0.51) FFAR1HPGDTAAR1ALDH1A1MEN1
SCHEMBL11579453 0.77
SCHEMBL988376 0.76 TAAR1 (0.53) FFAR1HPGDTAAR1ALDH1A1MEN1

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