SCHEMBL7452145

SCHEMBL7452145

CCCC(CCC(=O)OCC)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
FDPS P14324 1/20 0.41
CYP1A2 P05177 1/20 0.40
METAP1 P53582 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL7718811 0.87 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL27811505 0.87 FDPS (0.47) KMT2AFDPSENPP2TRPV1
SCHEMBL27789916 0.87 FDPS (0.47) KMT2AFDPSENPP2TRPV1
SCHEMBL7718907 0.85 L3MBTL1 (0.41) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL7718953 0.84 ALDH1A1 (0.42) L3MBTL1POLBFDPSMETAP1MGAM
SCHEMBL20609976 0.79 FDPS (0.50) L3MBTL1KMT2APOLBFDPSCYP1A2
SCHEMBL3889795 0.78 FDPS (0.62) FDPSMETAP1
SCHEMBL7717033 0.77 CYP1A2 (0.47) L3MBTL1KMT2APOLBCYP1A2MGAM
Butane SCHEMBL7718903 0.76 FOLH1 (0.48) FDPSMETAP1ALDH1A1
SCHEMBL29016541 0.75 L3MBTL1 (0.47) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
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-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 WO 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