SCHEMBL7998797

SCHEMBL7998797

CCCCOC(=O)C=CCC(N)C(=O)OCCCC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
HCAR2 Q8TDS4 4/20 0.53
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
APP P05067 5/20 0.43
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL27557539 0.80 ALDH1A1 (0.50) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL7459283 0.80 ATM (0.47) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL10582914 0.78 ATM (0.40) ATMHCAR2HPGDTSHRALDH1A1
SCHEMBL16866042 0.78 ATM (0.70) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL13729941 0.78 ATM (0.70) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL690840 0.77 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9561881 0.77 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL690841 0.77 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL28154 0.76 ATM (1.00) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL269917 0.76 ATM (1.00) ATMHCAR2MAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776334-A4 STABLE ANALOGS OF BIOACTIVE PEPTIDES CONTAINING DISULFIDE LINKAGES MALLINCKRODT MEDICAL INC (US) 2000-05-03 EP disclosed
EP-0776334-A1 STABLE ANALOGS OF BIOACTIVE PEPTIDES CONTAINING DISULFIDE LINKAGES MALLINCKRODT MEDICAL, INC. (US) 1997-06-04 EP disclosed
WO-1996003429-A1 STABLE ANALOGS OF BIOACTIVE PEPTIDES CONTAINING DISULFIDE LINKAGES MALLINCKRODT MEDICAL, INC. (US) 1996-02-08 WO disclosed