SCHEMBL5507124

SCHEMBL5507124

CCCCCCCCC1(OOC(=O)Cc2ccccc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSK P43235 3/20 0.41
PRKCA P17252 3/20 0.40
CETP P11597 6/20 0.40
CNR2 P34972 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL9501544 0.81 CTSK (0.47) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL27841792 0.73 CETP (0.44) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL27822714 0.73 CETP (0.44) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL18428687 0.72 CHRM2 (0.40) MEN1KMT2ATSHR
SCHEMBL3267939 0.71 CETP (0.43) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL18554127 0.71 MEN1 (0.48) MEN1KMT2ACETPCNR2TSHR
SCHEMBL8470185 0.70 MEN1 (0.38) MEN1KMT2ACTSLCTSBCTSK
SCHEMBL5507127 0.70 NAAA (0.47) CTSLCTSBCTSKCETP
SCHEMBL11580191 0.69 ALDH1A1 (0.58) MEN1KMT2ATSHR
SCHEMBL3504146 0.69 ALDH1A1 (0.58) MEN1KMT2ATSHR

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
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed