SCHEMBL8664523

SCHEMBL8664523

CCC1(CC)CCOP(=O)(Cc2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KCNJ1 P48048 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TSHR P16473 1/20 0.34
KCNH2 Q12809 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
IDO1 P14902 2/20 0.33
TLR3 O15455 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP2C19 P33261 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
SCHEMBL8664526 0.85 NR3C1 (0.39) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL8641571 0.79 LOXL2 (0.47) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL7756470 0.77 LOXL2 (0.44) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL2031931 0.77 LOXL2 (0.44) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL7756435 0.76 LOXL2 (0.39) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL7753025 0.76 LOXL2 (0.39) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL7757176 0.74 LOXL2 (0.42) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL7753030 0.71 TSHR (0.41) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL7756447 0.71 TSHR (0.41) MAPTALDH1A1KCNJ1LMNASMN1; SMN2
SCHEMBL7756406 0.71 MAPT (0.42) MAPTALDH1A1KCNJ1LMNASMN1; 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-5741784-A ADMINISTERING TO TREAT METABOLIC BONE DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-21 US disclosed