SCHEMBL6714019

SCHEMBL6714019

CCC(=O)c1c[nH]c2ccc(C)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.77
LMNA P02545 2/20 0.77
ALDH1A1 P00352 4/20 0.72
HTT P42858 1/20 0.65
NR4A2 P43354 2/20 0.63
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MITF O75030 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CDK4 P11802 2/20 0.48

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
SCHEMBL14297217 0.87 LMNA (1.00) RAB9ALMNAALDH1A1HTTNR4A2
SCHEMBL27136328 0.86 RAB9A (0.75) RAB9ALMNAALDH1A1HTTNR4A2
SCHEMBL3976054 0.83 NR4A2 (0.71) RAB9ALMNAALDH1A1HTTNR4A2
SCHEMBL30457500 0.83 NR4A2 (0.64) RAB9ALMNAALDH1A1NR4A2MTNR1A
SCHEMBL29647629 0.83 ALDH1A1 (0.58) RAB9ALMNAALDH1A1KDM4EMTNR1A
SCHEMBL25305901 0.83 NR4A2 (0.64) RAB9ALMNAALDH1A1NR4A2MTNR1A
SCHEMBL9789068 0.83 F7 (0.69) RAB9ALMNAALDH1A1NR4A2MTNR1A
SCHEMBL14076971 0.83 ALDH1A1 (0.58) RAB9ALMNAALDH1A1KDM4EMTNR1A
SCHEMBL20436338 0.82 RAB9A (0.69) RAB9ALMNAALDH1A1HTTNR4A2
SCHEMBL27811127 0.81 HSD17B10 (0.79) RAB9ALMNAALDH1A1HTTNR4A2

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
WO-2004065411-A2 PEPTIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-08-05 WO claimed
WO-2004065411-A2 PEPTIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-08-05 WO disclosed