SCHEMBL4354408

SCHEMBL4354408

CCCOCCCNC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.66
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
NAMPT P43490 2/20 0.61
HPGD P15428 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 2/20 0.56
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL12445445 0.90 SMN1; SMN2 (0.81) NAAASMN1; SMN2GAAMAPTNAMPT
SCHEMBL25863565 0.90 SMN1; SMN2 (0.74) NAAASMN1; SMN2GAAMAPTHPGD
SCHEMBL26646791 0.89 HPGD (0.73) NAAASMN1; SMN2NAMPTHPGDNPC1
SCHEMBL16361209 0.89 SMN1; SMN2 (0.84) NAAASMN1; SMN2GAAMAPTNAMPT
SCHEMBL9348556 0.88 SMN1; SMN2 (0.76) NAAASMN1; SMN2GAAMAPTNAMPT
SCHEMBL1959872 0.86 SMN1; SMN2 (0.73) NAAASMN1; SMN2GAAMAPTNAMPT
SCHEMBL4039186 0.83 ALDH1A1 (0.83) NAAASMN1; SMN2GAAHPGDNPC1
SCHEMBL1002854 0.83 NAAA (0.86) NAAASMN1; SMN2GAAHPGDNPC1
SCHEMBL16449001 0.82 SMN1; SMN2 (0.67) NAAASMN1; SMN2MAPTNAMPTHPGD
Hydrochloric Acid SCHEMBL15954598 0.82 NAAA (0.83) NAAASMN1; SMN2GAAHPGDNPC1

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-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed