SCHEMBL11064345

SCHEMBL11064345

CC(C)=CCc1ccc(C(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
PTGS2 P35354 7/20 0.40
PTGS1 P23219 4/20 0.40
CXCR1 P25024 3/20 0.40
CXCR2 P25025 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX5 P09917 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CXCL8 P10145 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C2 P52895 1/20 0.40

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
SCHEMBL10974081 0.85 PTGS2 (0.44) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL11064897 0.84 CXCR1 (0.43) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL10974516 0.82 PTGS2 (0.41) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL10979187 0.82 PTGS2 (0.45) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL16811749 0.80 APP (0.46) APPPTGS2PTGS1CXCR1CXCR2
SCHEMBL6848221 0.80 PTGS2 (0.61) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9792900 0.79 PTGS2 (0.44) APPPTGS2PTGS1CXCR1CXCR2
SCHEMBL5216265 0.79 APP (0.45) APPPTGS2PTGS1CXCR1CXCR2
SCHEMBL11327771 0.79 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL10974786 0.78 PTGS2 (0.38) PTGS2PTGS1CXCR1CXCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0074008-B1 PROCESS FOR PRODUCING ALPHA-ARYLALKANOIC ACID ESTERS TAISHO PHARMACEUTICAL CO. LTD (JP) 1984-10-10 EP disclosed
US-4433160-A Process for producing α-arylalkanoic acid ester TAISHO PHARMACEUTICAL COMPANY, LTD. (JP) 1984-02-21 US disclosed
EP-0074008-A2 Process for producing alpha-arylalkanoic acid esters TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-16 EP disclosed