SCHEMBL11064897

SCHEMBL11064897

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 3/20 0.43
CXCR2 P25025 3/20 0.43
HPGD P15428 1/20 0.43
PTGS2 P35354 9/20 0.42
PTGS1 P23219 5/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
ESR1 P03372 2/20 0.42
ALB P02768 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C2 P52895 1/20 0.42

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 0.89 PTGS2 (0.44) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL10974516 0.86 PTGS2 (0.41) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL10979187 0.86 PTGS2 (0.45) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL11064345 0.84 APP (0.41) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL6848221 0.83 PTGS2 (0.61) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL11327771 0.82 PTGS2 (0.59) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL10974786 0.81 PTGS2 (0.38) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL10981665 0.81 L3MBTL1 (0.43) CXCR1CXCR2HPGDPTGS2PTGS1
SCHEMBL11339075 0.81 PTGS1 (0.46) CXCR1CXCR2PTGS2PTGS1LMNA
SCHEMBL11327765 0.81 PTGS2 (0.45) CXCR1CXCR2PTGS2PTGS1LMNA

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