SCHEMBL11071502

SCHEMBL11071502

CC(C)Cc1ccc(Br)cc1.[MgH2]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
PDE4A P27815 1/20 0.46
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
ALOX5 P09917 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
RARB P10826 1/20 0.45
ADRB3 P13945 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
NR1I3 Q14994 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
CXCL8 P10145 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL1437577 0.97 CHRM1 (0.47) CHRM1PDE4APTGS1PTGS2LMNA
Ammonia Solution, Strong SCHEMBL27822658 0.95 CHRM1 (0.46) CHRM1PDE4APTGS1PTGS2LMNA
Methoxymethane SCHEMBL27754240 0.91 CXCR1 (0.43) CHRM1PDE4APTGS1PTGS2LMNA
Cyanide SCHEMBL28128025 0.91 PYCR1 (0.43) CHRM1PDE4APTGS1PTGS2LMNA
SCHEMBL25014403 0.91 MEN1 (0.46) CHRM1PDE4APTGS1PTGS2LMNA
SCHEMBL23696953 0.91 MEN1 (0.46) CHRM1PDE4APTGS1PTGS2LMNA
SCHEMBL1169949 0.85 PYCR1 (0.40) CHRM1PDE4APTGS1PTGS2LMNA
SCHEMBL3437767 0.85 NPC1 (0.45) CHRM1PDE4APTGS1PTGS2LMNA
SCHEMBL13719134 0.85 MAPT (0.47) CHRM1PDE4APTGS1PTGS2LMNA
SCHEMBL9375073 0.85 PTGS1 (0.52) CHRM1PDE4APTGS1PTGS2LMNA

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