SCHEMBL10516652

SCHEMBL10516652

CC(C)COC(N)(Cc1ccccc1)C(C)CN1CCN(C(=O)CCO[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
MAPT P10636 3/20 0.35
PAX8 Q06710 1/20 0.34
THRB P10828 1/20 0.34
HSD11B1 P28845 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 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
SCHEMBL9501166 0.75 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL14394504 0.61 HRH2 (0.44) ALDH1A1LMNASMN1; SMN2L3MBTL1TSHR
SCHEMBL29528050 0.59 TSHR (0.39) ALDH1A1LMNASMN1; SMN2KDM4ETSHR
SCHEMBL10162567 0.58 HSD11B1 (0.72) ALDH1A1L3MBTL1KDM4ETDP1TSHR
SCHEMBL2133889 0.58 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2KDM4EPOLB
SCHEMBL14607629 0.58 MAPT (0.43) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL7131839 0.58 NPC1 (0.86) ALDH1A1SMN1; SMN2L3MBTL1TDP1TSHR
SCHEMBL21322119 0.58 GRM5 (0.60) L3MBTL1KDM4ETDP1TSHRPOLB
SCHEMBL3035973 0.58 POLB (0.76) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL10130744 0.58 NPC1 (0.67) ALDH1A1SMN1; SMN2L3MBTL1KDM4ETDP1

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
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP claimed