SCHEMBL6972694

SCHEMBL6972694

CCC=CCOC(=O)O[C]=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 3/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31

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
SCHEMBL6972692 1.00 PTGS1 (0.36) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL6967726 0.85 PTGS1 (0.31) PTGS1
SCHEMBL6967723 0.85 PTGS1 (0.31) PTGS1
SCHEMBL15121261 0.83 ALDH1A1 (0.46) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL14775231 0.83 ALDH1A1 (0.46) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL6967052 0.82
SCHEMBL6967047 0.82
SCHEMBL6958509 0.78 FFAR1 (0.31) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL6958514 0.78 FFAR1 (0.31) PTGS1NR1I2PGRADORA3PTGS2
SCHEMBL13455428 0.77 PTGS1 (0.39) PTGS1NR1I2PGRADORA3PTGS2

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed