SCHEMBL8330814

SCHEMBL8330814

CCOC(=O)C(C(=O)OCC)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.58
PTGS2 P35354 5/20 0.58
MAPT P10636 3/20 0.56
LMNA P02545 3/20 0.56
CXCR1 P25024 2/20 0.56
CXCR2 P25025 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPK1 P28482 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
PMP22 Q01453 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CXCL8 P10145 1/20 0.56
THPO P40225 1/20 0.56
HIF1A Q16665 1/20 0.56
MMP8 P22894 1/20 0.54

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
SCHEMBL8330808 0.94 PTGS1 (0.57) PTGS1PTGS2MAPTLMNACXCR1
SCHEMBL30436399 0.87 PTGS2 (0.74) PTGS1PTGS2MAPTLMNACXCR1
SCHEMBL9555892 0.87 PTGS2 (0.74) PTGS1PTGS2MAPTLMNACXCR1
SCHEMBL2746977 0.85 PTGS1 (0.56) PTGS1PTGS2MAPTLMNACXCR1
SCHEMBL1041491 0.84 CYP4F2 (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDMMP8
Dimethylamine SCHEMBL3834248 0.83 PTGS2 (0.72) PTGS1PTGS2MAPTLMNACXCR1
SCHEMBL11216621 0.82 PTGS1 (0.52) PTGS1PTGS2MAPTLMNACXCR1
SCHEMBL28181740 0.82 MMP8 (0.50) PTGS1PTGS2ALDH1A1KDM4EMMP8
SCHEMBL266419 0.82 MMP8 (0.74) SMN1; SMN2MMP8TDP1MEN1KMT2A
SCHEMBL11460300 0.81 PTGS1 (0.54) PTGS1PTGS2MAPTLMNACXCR1

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-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed