SCHEMBL7715877

SCHEMBL7715877

CCOC(=O)CCC(C)C(CC)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL7716775 0.83 ALDH1A1 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19MGAM
SCHEMBL7718811 0.77 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP1A2CYP2D6
SCHEMBL20609976 0.77 FDPS (0.50) L3MBTL1KMT2APOLBCYP1A2CYP2D6
SCHEMBL7718875 0.77 ALDH1A1 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19MGAM
SCHEMBL8102824 0.76 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL9649819 0.75 L3MBTL1 (0.42) L3MBTL1KMT2APOLBCYP1A2CYP2D6
SCHEMBL27334918 0.75 L3MBTL1 (0.42) L3MBTL1KMT2APOLBCYP1A2CYP2D6
SCHEMBL6067665 0.74 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL28308256 0.74 CYP1A2 (0.46) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL21052326 0.73 L3MBTL1 (0.51) L3MBTL1KMT2APOLBCYP1A2MGAM

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