SCHEMBL11465610

SCHEMBL11465610

CCCCCCCCOC(C)C1CO1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
DNM1 Q05193 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
SPHK1 Q9NYA1 2/20 0.36
SPHK2 Q9NRA0 1/20 0.36
EPHX1 P07099 1/20 0.34
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
BLM P54132 1/20 0.33
GBA1 P04062 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL11473226 1.00 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL11462825 1.00 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL10494252 1.00 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL11456926 1.00 ALDH1A1 (0.47) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL6431111 0.98 ALDH1A1 (0.44) ALDH1A1TDP1DNM1SMN1; SMN2SPHK1
SCHEMBL11981864 0.92 SMN1; SMN2 (0.44) ALDH1A1TDP1DNM1SMN1; SMN2
SCHEMBL11981863 0.92 SMN1; SMN2 (0.44) ALDH1A1TDP1DNM1SMN1; SMN2
SCHEMBL11981860 0.92 SMN1; SMN2 (0.44) ALDH1A1TDP1DNM1SMN1; SMN2
SCHEMBL11981858 0.92 SMN1; SMN2 (0.44) ALDH1A1TDP1DNM1SMN1; SMN2
SCHEMBL15074904 0.92 SMN1; SMN2 (0.44) ALDH1A1TDP1DNM1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4238609-A Production of ampho-ionic compounds NIPPON PAINT CO., LTD. (JP) 1980-12-09 US disclosed