SCHEMBL11278076

SCHEMBL11278076

Cc1ccc(COC(=O)C(C)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.60
PGR P06401 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
SLC6A2 P23975 1/20 0.60
PTGS2 P35354 6/20 0.57
CXCR1 P25024 3/20 0.57
CXCR2 P25025 3/20 0.57
LMNA P02545 2/20 0.57
CYP2C9 P11712 2/20 0.57
AKR1C3 P42330 2/20 0.57
ALB P02768 1/20 0.57
ESR1 P03372 1/20 0.57
ALOX5 P09917 1/20 0.57
RARB P10826 1/20 0.57
ADRB3 P13945 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR2A P28223 1/20 0.57
NR1I3 Q14994 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
CXCL8 P10145 1/20 0.57

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
SCHEMBL10041458 0.89 PTGS1 (0.61) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL1393871 0.88 PTGS1 (0.67) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL11571391 0.85 PTGS2 (0.65) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL31375120 0.84 PTGS2 (0.64) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL2944919 0.84 PTGS2 (0.64) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL3281060 0.84 PTGS2 (0.64) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL10041457 0.83 PTGS2 (0.62) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL12896272 0.82 PTGS2 (0.66) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL17464177 0.82 PTGS2 (0.66) PTGS1PGRADORA3SLC6A2PTGS2
SCHEMBL27932711 0.81 PTGS2 (0.64) PTGS1PGRADORA3SLC6A2PTGS2

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-4335251-A ANALGESIC, ANTIPYRETIC, ANTIINFLAMMATORY HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1982-06-15 US disclosed
US-4150137-A ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1979-04-17 US disclosed