SCHEMBL8945606

SCHEMBL8945606

CCCC(=O)OCCC=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
PPARA Q07869 2/20 0.48
PPARD Q03181 1/20 0.48
PAM P19021 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TOP2A P11388 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL28495705 0.88 LMNA (0.46) NAAAPPARAPPARDPAMTDP1
SCHEMBL356660 0.84 MMP1 (0.49) PPARAPPARDPAMTDP1NPC1
SCHEMBL356661 0.84 MMP1 (0.49) PPARAPPARDPAMTDP1NPC1
SCHEMBL14763825 0.84 MMP1 (0.49) PPARAPPARDPAMTDP1NPC1
SCHEMBL4957455 0.84 TDP1 (0.50) PPARATDP1LMNA
SCHEMBL4202774 0.84 TDP1 (0.50) PPARATDP1LMNA
SCHEMBL13631648 0.83 MEN1 (0.51) PPARAPPARDPAMNPC1LMNA
SCHEMBL9419457 0.83 MEN1 (0.51) PPARAPPARDPAMNPC1LMNA
SCHEMBL9419458 0.83 MEN1 (0.51) PPARAPPARDPAMNPC1LMNA
(Z)-Hex-3-En-1-Yl Acetate SCHEMBL28985948 0.82 NR1I2 (0.39) NAAAPPARAPPARDPAMTDP1

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-5589312-A RESIN GRAINS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-31 US claimed
US-5589312-A RESIN GRAINS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-31 US disclosed