SCHEMBL8102446

SCHEMBL8102446

CCCCC(=O)NC1=C(O)c2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL8108515 0.87 GAA (0.47) GAATDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8106239 0.87 GAA (0.44) GAATDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8092894 0.86 ALDH1A1 (0.47) ALDH1A1HPGD
SCHEMBL8106211 0.86 GAA (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100379 0.86 GAA (0.43) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8100257 0.85 GAA (0.45) GAATDP1L3MBTL1MAPTALDH1A1
SCHEMBL8108565 0.85 L3MBTL1 (0.43) GAATDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8102130 0.84 GAA (0.47) GAATDP1L3MBTL1EPHX2
SCHEMBL8108358 0.84 SMN1; SMN2 (0.42) GAATDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8100607 0.83 L3MBTL1 (0.41) GAATDP1L3MBTL1MAPTSMN1; SMN2

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