SCHEMBL8100473

SCHEMBL8100473

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
SNCA P37840 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
MITF O75030 2/20 0.35

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
SCHEMBL8102167 0.91 DHODH (0.51) DHODHCYP1A2CYP2C8CYP2C9CYP2B6
SCHEMBL8102117 0.85 ALDH1A1 (0.40) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8100896 0.85 KMT2A (0.39) DHODHCYP1A2CYP2C8CYP2C9CYP2B6
SCHEMBL8102608 0.84 PTPN1 (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8092785 0.83 PTPN1 (0.48) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL8100744 0.82 MAPT (0.51) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8092901 0.82 ALDH1A1 (0.45) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8092964 0.80 MAPT (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL8102043 0.79 HSP90AA1 (0.52) DHODHMAPTALDH1A1LMNAKMT2A
SCHEMBL8106476 0.79 FGFR1 (0.46) MAPTALDH1A1LMNAKMT2AMEN1

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