SCHEMBL11330889

SCHEMBL11330889

CC(C)C(C=CCl)C(C(=O)O)(C(C)C)C(NS)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.39
NPY5R Q15761 4/20 0.38
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
GLI1 P08151 1/20 0.36
GLI2 P10070 1/20 0.36
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KDM4E B2RXH2 2/20 0.34
EPOR P19235 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR1 O14842 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL11338476 0.90 PTGS1 (0.45) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11326187 0.89 PTGS1 (0.44) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11337296 0.87 PTGS1 (0.43) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11335405 0.86 PTGS1 (0.42) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11335209 0.86 PTGS1 (0.45) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11306976 0.82 PTGS1 (0.46) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11332930 0.81 PTGS1 (0.44) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11322300 0.80 PTGS1 (0.42) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11334743 0.78 PTGS1 (0.41) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11321425 0.77 PTGS1 (0.44) PTGS1MEN1CYP2D6KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4291057-A INSECTICIDES AND MITICIDES UNION CARBIDE CORPORATION (US) 1981-09-22 US disclosed