SCHEMBL8106466

SCHEMBL8106466

C=CCCC1=C(NC(=O)CCCC)C(=O)c2cc(OC)c(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
CNR1 P21554 4/20 0.39
CNR2 P34972 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8106211 0.88 GAA (0.43) GAATDP1L3MBTL1MAPTNPC1
SCHEMBL8100379 0.88 GAA (0.43) GAATDP1L3MBTL1MAPTNPC1
SCHEMBL8102703 0.87 ALDH1A1 (0.40) CNR1CNR2MAPTNPC1RAB9A
SCHEMBL8100257 0.87 GAA (0.45) GAATDP1L3MBTL1MAPTNPC1
SCHEMBL8102130 0.86 GAA (0.47) GAATDP1L3MBTL1
SCHEMBL8106239 0.85 GAA (0.44) GAATDP1L3MBTL1MAPTNPC1
SCHEMBL8102841 0.84 ALDH1A1 (0.46) GAATDP1L3MBTL1MAPTNPC1
SCHEMBL8106218 0.83 SMN1; SMN2 (0.43) GAATDP1L3MBTL1MAPTNPC1
SCHEMBL8102981 0.83 TDP2 (0.50) GAATDP1L3MBTL1MAPTNPC1
SCHEMBL8108719 0.83 GAA (0.41) CNR1CNR2GAATDP1L3MBTL1

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-6013674-A INDENONE AMIDE DERIVATIVES, USEFUL FOR FOR THE INHIBITION OF LEUKOCYTE ADHERENCE TO ENDOTHELIAL CELLS; USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, AS ARTHRITIS, ASTHAMA, PSORIASIS, RESPIRATORY DISTRESS SYNDROME, STROKE AND ULCER ELI LILLY AND COMPANY (US) 2000-01-11 US disclosed
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed