SCHEMBL8092608

SCHEMBL8092608

CC=CCC1=C(NC(=O)CC)C(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 7/20 0.52
TDP2 O95551 1/20 0.49
PAX8 Q06710 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
TLR9 Q9NR96 1/20 0.49
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FGFR1 P11362 1/20 0.41
FGFR2 P21802 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
SCHEMBL8108597 0.91 TDP2 (0.61) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8102148 0.88 TDP2 (0.52) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8106524 0.86 HSP90AA1 (0.54) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8102266 0.84 HSP90AA1 (0.41) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8671274 0.83 MAPT (0.59) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8102702 0.80 MAPT (0.57) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8108454 0.79 MAPT (0.59) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8093137 0.78 MAPT (0.54) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8106296 0.77 MAPT (0.51) RAB9AGAAMAPTTDP2PAX8
SCHEMBL8106214 0.77 ALDH1A1 (0.36) RAB9AGAAMAPTTDP2PAX8

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