SCHEMBL4064825

SCHEMBL4064825

O[C]1CCCC2CCCCC12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NOS3 P29474 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10426014 0.92 ALDH1A1 (0.38) ALDH1A1NOS1NOS2NOS3MEN1
SCHEMBL7572975 0.92 ALDH1A1 (0.38) ALDH1A1NOS1NOS2NOS3MEN1
SCHEMBL3371097 0.78
SCHEMBL28506582 0.69 NOS1 (0.32) ALDH1A1NOS1NOS2NOS3
SCHEMBL32665638 0.69 ALDH1A1 (0.36) ALDH1A1NOS1NOS2NOS3MEN1
SCHEMBL9833157 0.69 ALDH1A1 (0.42) ALDH1A1NOS1NOS2NOS3MEN1
SCHEMBL5473304 0.69 ALDH1A1 (0.31) ALDH1A1NOS1NOS2NOS3
SCHEMBL209828 0.68 ALDH1A1 (0.35) ALDH1A1NOS1NOS2NOS3
SCHEMBL12333841 0.68 CA1 (0.42) ALDH1A1NOS1NOS2NOS3MEN1
SCHEMBL22397285 0.68 CA1 (0.42) ALDH1A1NOS1NOS2NOS3MEN1

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
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed