SCHEMBL7717100

SCHEMBL7717100

CCOC(=O)C(CC)C(Cc1ccccc1)CP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
HPRT1 P00492 1/20 0.44
HSD17B10 Q99714 1/20 0.42
LAP3 P28838 4/20 0.42
ANPEP P15144 1/20 0.42
ACP3 P15309 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7716658 0.78 MMP8 (0.44) MMP8HSD17B10POLBMEN1KMT2A
SCHEMBL892960 0.77 MMP8 (0.61) MMP8EPHX2PPARGHSD17B10POLB
SCHEMBL31516050 0.76 HSD17B10 (0.58) MMP8EPHX2PPARGHPRT1HSD17B10
SCHEMBL7714685 0.75 METAP1 (0.42) LAP3POLBALDH1A1TSHR
SCHEMBL27532520 0.75 MMP8 (0.49) MMP8EPHX2PPARGHSD17B10POLB
SCHEMBL7717097 0.75 TSHR (0.48) MMP8EPHX2PPARGHPRT1LAP3
SCHEMBL15340794 0.73 MMP8 (0.56) MMP8EPHX2PPARGHSD17B10POLB
SCHEMBL15340786 0.73 MMP8 (0.56) MMP8EPHX2PPARGHSD17B10POLB
SCHEMBL15016003 0.73 MMP8 (0.56) MMP8EPHX2PPARGHSD17B10POLB
SCHEMBL10429976 0.73 MMP8 (0.56) MMP8EPHX2PPARGHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed