SCHEMBL11228053

SCHEMBL11228053

CCCCc1ccccc1OC(=O)C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.53
PTGS1 P23219 4/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
SLC6A2 P23975 1/20 0.47
CXCR1 P25024 3/20 0.46
CXCR2 P25025 3/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
AKR1C3 P42330 2/20 0.46
ALB P02768 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX5 P09917 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
NR1I3 Q14994 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
CXCL8 P10145 1/20 0.46

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
SCHEMBL1429994 0.80 THRA (0.57) PTGS2ALOX5THRATHRB
SCHEMBL11228059 0.80 PTGS2 (0.76) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL5080304 0.80 PTGS2 (0.56) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL11570387 0.80 PTGS2 (0.56) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL1196481 0.79 PTGS2 (0.48) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5833971 0.78 PTGS2 (0.54) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5833974 0.76 PTGS2 (0.52) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL13291917 0.75 PTGS2 (0.61) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL14201191 0.75 PTGS2 (0.72) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL1789816 0.73 THRA (0.58) PTGS2ALOX5THRATHRB

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
JP-57206640-A None JP disclosed
JP-S57206640-A PREPARATION OF NOVEL PROPIONIC ESTER DERIVATIVE HISAMITSU PHARMACEUT CO INC 1982-12-18 JP disclosed