SCHEMBL8108823

SCHEMBL8108823

CCC(=O)NC1=C(C(CC)CC)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
RAB9A P51151 4/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP2 O95551 1/20 0.50
PAX8 Q06710 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TLR9 Q9NR96 1/20 0.50
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL8092825 0.88 TDP2 (0.66) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8102520 0.86 HSP90AA1 (0.58) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8102171 0.86 MAPT (0.62) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8102275 0.86 TDP2 (0.56) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8108508 0.84 MAPT (0.43) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8666822 0.83 MAPT (0.52) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8665616 0.82 MAPT (0.54) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8671255 0.82 MAPT (0.54) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8668172 0.82 MAPT (0.54) MAPTRAB9AGAAALDH1A1NPC1
SCHEMBL8108449 0.80 MAPT (0.65) MAPTRAB9AGAAALDH1A1NPC1

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