SCHEMBL8093084

SCHEMBL8093084

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 9/20 0.36
LMNA P02545 6/20 0.36
ALDH1A1 P00352 5/20 0.36
MITF O75030 4/20 0.36
HTT P42858 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
MAPK1 P28482 5/20 0.33
NPSR1 Q6W5P4 4/20 0.33
RAB9A P51151 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 3/20 0.33
NSD2 O96028 3/20 0.33
NPC1 O15118 3/20 0.33
CASP3 P42574 2/20 0.33

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
SCHEMBL8108880 0.82 MAOA (0.44) MAOAMAOBMAPTLMNAALDH1A1
SCHEMBL8106476 0.80 FGFR1 (0.46) MAOAMAOBMAPTLMNAALDH1A1
SCHEMBL8100724 0.78 HSP90AA1 (0.54) MAOAMAPTLMNAALDH1A1HTT
SCHEMBL8092901 0.77 ALDH1A1 (0.45) MAOAMAOBMAPTLMNAALDH1A1
SCHEMBL8100896 0.77 KMT2A (0.39) MAOAMAOBMAPTLMNAALDH1A1
SCHEMBL8103026 0.76 HSP90AA1 (0.40) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL8668093 0.76 RAB9A (0.55) MAPTLMNAALDH1A1MITFHTT
SCHEMBL8106214 0.75 ALDH1A1 (0.36) MAOAMAOBMAPTLMNAALDH1A1
SCHEMBL8102167 0.75 DHODH (0.51) MAOAMAOBMAPTLMNAALDH1A1
SCHEMBL8102117 0.75 ALDH1A1 (0.40) MAPTLMNAALDH1A1MITFHTT

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