SCHEMBL5482075

SCHEMBL5482075

C[C@@H](C(=O)O)c1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.56
PTGS2 P35354 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CXCL8 P10145 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
PMP22 Q01453 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
THPO P40225 1/20 0.56
HIF1A Q16665 1/20 0.56
KMT2A Q03164 2/20 0.51

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
SCHEMBL1886010 1.00 PTGS1 (0.56) PTGS1PTGS2LMNAMAPTCXCR1
SCHEMBL1882145 0.88 CXCL8 (0.48) LMNAMAPTSMN1; SMN2CXCL8ALDH1A1
SCHEMBL1884898 0.81 TYK2 (0.47) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL1437928 0.77 KMT2A (0.80) LMNAMAPTSMN1; SMN2HPGDKMT2A
SCHEMBL6717009 0.74 PTGS1 (0.72) PTGS1PTGS2LMNAMAPTCXCR1
SCHEMBL1344993 0.74 PTGS1 (0.72) PTGS1PTGS2LMNAMAPTCXCR1
SCHEMBL1344992 0.74 PTGS1 (0.72) PTGS1PTGS2LMNAMAPTCXCR1
SCHEMBL602096 0.73 PTGS2 (0.69) PTGS1PTGS2LMNAMAPTCXCR1
SCHEMBL5311714 0.72 PTGS2 (0.79) PTGS1PTGS2LMNAMAPTCXCR1
Ketoprofen SCHEMBL3843886 0.72 PTGS1 (1.00) PTGS1PTGS2LMNAMAPTCXCR1

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
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO disclosed