SCHEMBL4582347

SCHEMBL4582347

CC(O)CCCCc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.47
MPO P05164 4/20 0.47
TYR P14679 2/20 0.47
SLC6A4 P31645 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSPA5 P11021 1/20 0.43
HTR1A P08908 1/20 0.43
GAA P10253 1/20 0.41
ADRB2 P07550 4/20 0.40
ADRB1 P08588 4/20 0.40

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
SCHEMBL28957063 0.94 MPO (0.49) MGLLMPOTYRSLC6A4TAAR1
SCHEMBL11583779 0.87 MPO (0.49) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL2486648 0.86 TYR (0.61) MPOTYRSLC6A4TAAR1HSPA5
SCHEMBL411265 0.85 MGLL (0.51) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL30548385 0.85 MGLL (0.51) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL11726604 0.85 MGLL (0.51) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL28732506 0.85 MGLL (0.51) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL18379 0.85 MGLL (0.51) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL223105 0.85 MGLL (0.51) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL411451 0.85 MGLL (0.51) MGLLMPOSLC6A4TAAR1HSPA5

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
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO disclosed