SCHEMBL8100896

SCHEMBL8100896

CC(C)CC1=C(NC=O)C(=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 5/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 4/20 0.38
MITF O75030 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DHODH Q02127 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL8100473 0.85 DHODH (0.42) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8102167 0.84 DHODH (0.51) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8106476 0.83 FGFR1 (0.46) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8092901 0.81 ALDH1A1 (0.45) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8102117 0.78 ALDH1A1 (0.40) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8106214 0.78 ALDH1A1 (0.36) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8102608 0.77 PTPN1 (0.46) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8093084 0.77 MAOA (0.36) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8108880 0.76 MAOA (0.44) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL8102537 0.76 LMNA (0.44) KMT2AALDH1A1LMNAMEN1MAPT

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