SCHEMBL7716708

SCHEMBL7716708

CCOP(=O)(OCC)C(CCC#N)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.36
MAOB P27338 1/20 0.36
CTSL P07711 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KCNH2 Q12809 1/20 0.36
LAP3 P28838 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
Butane SCHEMBL7716702 0.79 LAP3 (0.44) MAOBCTSLCTSSCTSKLAP3
SCHEMBL1241061 0.78 POLB (0.49) POLBNPSR1MEN1KMT2AGAA
SCHEMBL7718937 0.77 ACHE (0.36) POLBMEN1KMT2AL3MBTL1
SCHEMBL7717188 0.76 TSHR (0.35) POLBL3MBTL1
SCHEMBL13685284 0.72 POLB (0.53) POLBNPSR1MEN1KMT2AGAA
SCHEMBL9053712 0.71 POLB (0.60) POLBNPSR1MEN1KMT2AGAA
SCHEMBL6976815 0.71 LAP3 (0.57) POLBNPSR1MEN1KMT2AGAA
SCHEMBL12876205 0.70 POLB (0.50) POLBNPSR1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL11127095 0.70 LAP3 (0.55) POLBNPSR1MEN1KMT2AGAA
SCHEMBL7718842 0.70 ACHE (0.31)

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