SCHEMBL29586205

SCHEMBL29586205

O=C1CCC(Nc2cccc3oc4ccccc4c23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 5/20 0.42
MAOA P21397 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PGAM1 P18669 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCHR1 Q99705 1/20 0.38
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL21047775 0.77 KDM4E (0.47) KDM4EGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29586436 0.77 KDM4E (0.47) KDM4EGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29587234 0.76 MAPT (0.36) KDM4ELMNAGAAMAOAALDH1A1
SCHEMBL28283946 0.71 KDM4E (0.42) KDM4ELMNAGAAALDH1A1SMN1; SMN2
SCHEMBL27382731 0.70 MAPT (0.46) KDM4ELMNAGAAMAOAALDH1A1
SCHEMBL13440560 0.70 LMNA (0.86) KDM4ELMNAGAAALDH1A1SMN1; SMN2
SCHEMBL21047714 0.70 KDM4E (0.41) KDM4ELMNAGAAALDH1A1SMN1; SMN2
SCHEMBL21047850 0.70 KDM4E (0.41) KDM4ELMNAGAAALDH1A1SMN1; SMN2
SCHEMBL21047608 0.70 KDM4E (0.41) KDM4ELMNAGAAALDH1A1SMN1; SMN2
SCHEMBL29587770 0.70 KDM4E (0.41) KDM4ELMNAGAAALDH1A1SMN1; 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
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed