SCHEMBL8102841

SCHEMBL8102841

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
TDP2 O95551 1/20 0.38
PAX8 Q06710 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TLR9 Q9NR96 1/20 0.38
EPHX2 P34913 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 0.93 GAA (0.43) ALDH1A1GAATDP1L3MBTL1MAPT
SCHEMBL8100257 0.92 GAA (0.45) ALDH1A1GAATDP1L3MBTL1MAPT
SCHEMBL8102130 0.91 GAA (0.47) GAATDP1L3MBTL1EPHX2
SCHEMBL8100379 0.90 GAA (0.43) ALDH1A1GAATDP1L3MBTL1MAPT
SCHEMBL8108899 0.87 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2HPGDTDP2
SCHEMBL8106239 0.87 GAA (0.44) ALDH1A1GAATDP1L3MBTL1MAPT
SCHEMBL8102178 0.86 SMN1; SMN2 (0.42) ALDH1A1GAATDP1L3MBTL1MAPT
SCHEMBL8106218 0.85 SMN1; SMN2 (0.43) ALDH1A1GAATDP1L3MBTL1MAPT
SCHEMBL8106466 0.84 LTA4H (0.39) ALDH1A1GAATDP1L3MBTL1MAPT
SCHEMBL8093123 0.82 SMN1; SMN2 (0.44) ALDH1A1GAATDP1L3MBTL1MAPT

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