SCHEMBL6504045

SCHEMBL6504045

CCCCC(C)C1=CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GPR84 Q9NQS5 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL1238217 0.90 CYP1A2 (0.42) CYP1A2TP53ALDH1A1CYP3A4CYP2C9
SCHEMBL4442531 0.84 TP53 (0.55) CYP1A2TP53ALDH1A1CYP3A4CYP2C9
SCHEMBL1238019 0.79 TP53 (0.50) CYP1A2TP53ALDH1A1CYP3A4CYP2C9
SCHEMBL5179413 0.79 TP53 (0.58) CYP1A2TP53ALDH1A1GPR84CYP3A4
SCHEMBL5178494 0.77 TP53 (0.56) CYP1A2TP53ALDH1A1GPR84CYP3A4
SCHEMBL21556783 0.77 TP53 (0.56) CYP1A2TP53ALDH1A1GPR84CYP3A4
SCHEMBL1044726 0.75
SCHEMBL2944832 0.75 CYP1A2 (0.33) CYP1A2TP53ALDH1A1CYP3A4CYP2C9
SCHEMBL6902175 0.74 GSTP1 (0.31)
SCHEMBL4135092 0.74 TP53 (0.69) CYP1A2TP53ALDH1A1CYP3A4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887499-B2 Formulation and method for treating skeletal muscle degeneration caused by malnutrition and disease BABABUNMI ENITAN A (US) 2005-05-03 US disclosed
WO-2004028446-A2 FORMULATION AND METHOD FOR TREATING SKELETAL MUSCLE DEGENERATION CAUSED BY MALNUTRITION AND DISEASE BABABUNMI ENITAN A (US) 2004-04-08 WO disclosed
US-20030021858-A1 Formulation and method for treating skeletal muscle degeneration caused by malnutrition and disease BABABUNMI ENITAN A (US) 2003-01-30 US disclosed
US-6465021-B2 Formulation and method for treating skeletal muscle degeneration caused by malnutrition and disease BABABUNMI ENITAN ABLSOGUN (US) 2002-10-15 US disclosed
US-20020006911-A1 Formulation and method for treating skeletal muscle degeneration caused by malnutrition and disease BABABUNMI ENITAN ABLSOGUN (US) 2002-01-17 US disclosed