SCHEMBL13879183

SCHEMBL13879183

COc1cc(/C=C/CC(C)C)ccc1OC(=O)C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.47
PTGS2 P35354 4/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
ALDH1A1 P00352 1/20 0.44
FAAH O00519 1/20 0.44
TOP2A P11388 1/20 0.42
CXCR1 P25024 3/20 0.42
CXCR2 P25025 3/20 0.42
AKR1C3 P42330 3/20 0.41
PTGS1 P23219 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41
ADRB3 P13945 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL14217614 0.87 KDM4E (0.56) PSMB5PTGS2ALDH1A1TOP2AAKR1C3
SCHEMBL15344008 0.80 GSK3B (0.56) PSMB5PTGS2ALDH1A1TOP2APTGS1
SCHEMBL15340502 0.80 HDAC1 (0.53) PSMB5PTGS2ALDH1A1TOP2AAKR1C3
SCHEMBL15344009 0.80 GSK3B (0.56) PSMB5PTGS2ALDH1A1TOP2APTGS1
SCHEMBL15340504 0.80 HDAC1 (0.53) PSMB5PTGS2ALDH1A1TOP2AAKR1C3
SCHEMBL15340503 0.80 HDAC1 (0.53) PSMB5PTGS2ALDH1A1TOP2AAKR1C3
SCHEMBL15344012 0.80 GSK3B (0.56) PSMB5PTGS2ALDH1A1TOP2APTGS1
SCHEMBL13879177 0.79 PTGS1 (0.49) PSMB5PTGS2GRIK1GRIK2AKR1C3
SCHEMBL753603 0.79 PTGS1 (0.60) PTGS2ALDH1A1PTGS1LMNAALOX5
SCHEMBL20088274 0.78 PSMB5 (0.57) PSMB5PTGS2ALDH1A1TOP2ACXCR1

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
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed