SCHEMBL8102913

SCHEMBL8102913

CC(C)CCCC1=C(NC(=O)C(C)C)C(=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
HSP90AA1 P07900 5/20 0.40
HSP90AB1 P08238 5/20 0.40
MDM4 O15151 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
TDP2 O95551 1/20 0.37
PAX8 Q06710 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TLR9 Q9NR96 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL8092681 0.92 DHODH (0.52) DHODHHSP90AA1HSP90AB1MDM4TP53
SCHEMBL8102043 0.88 HSP90AA1 (0.52) DHODHHSP90AA1HSP90AB1TP53MAPT
SCHEMBL8092990 0.88 TDP2 (0.44) HSP90AA1HSP90AB1MDM4TP53MAPT
SCHEMBL8093156 0.86 PTPN1 (0.46) HSP90AA1HSP90AB1MDM4TP53MAPT
SCHEMBL8100385 0.86 MAPT (0.50) HSP90AA1HSP90AB1MDM4TP53MAPT
SCHEMBL8108729 0.86 HSP90AA1 (0.43) HSP90AA1HSP90AB1MDM4TP53MAPT
SCHEMBL8108465 0.85 PTPN1 (0.48) HSP90AA1HSP90AB1MAPTTDP2PAX8
SCHEMBL8108502 0.85 MAPT (0.54) DHODHHSP90AA1HSP90AB1MAPTKMT2A
SCHEMBL8102495 0.85 TDP2 (0.46) HSP90AA1HSP90AB1MDM4TP53MAPT
SCHEMBL8092562 0.84 MAPT (0.45) HSP90AA1HSP90AB1MDM4TP53MAPT

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