SCHEMBL8106214

SCHEMBL8106214

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 6/20 0.36
LMNA P02545 5/20 0.36
MITF O75030 3/20 0.36
HTT P42858 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
HKDC1 Q2TB90 2/20 0.35
TDP2 O95551 1/20 0.35
PAX8 Q06710 1/20 0.35
TLR9 Q9NR96 1/20 0.35
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL8106476 0.81 FGFR1 (0.46) ALDH1A1MAPTLMNAMITFHTT
SCHEMBL8106524 0.79 HSP90AA1 (0.54) ALDH1A1MAPTLMNAHTTHKDC1
SCHEMBL8092901 0.78 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMITFHTT
SCHEMBL8100896 0.78 KMT2A (0.39) ALDH1A1MAPTLMNAMITFHTT
SCHEMBL8092608 0.77 RAB9A (0.55) ALDH1A1MAPTLMNAMITFHTT
SCHEMBL8102266 0.77 HSP90AA1 (0.41) ALDH1A1MAPTHTTFGFR1FGFR2
SCHEMBL8108597 0.76 TDP2 (0.61) ALDH1A1MAPTHTTPOLBFGFR1
SCHEMBL8102167 0.76 DHODH (0.51) ALDH1A1MAPTLMNAMITFHTT
SCHEMBL8102117 0.76 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMITFHTT
SCHEMBL8102608 0.75 PTPN1 (0.46) ALDH1A1MAPTLMNAMITFHTT

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