SCHEMBL8664526

SCHEMBL8664526

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
TSHR P16473 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
KCNJ1 P48048 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CYP2C19 P33261 3/20 0.35
ATM Q13315 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 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
SCHEMBL8664523 0.85 MAPT (0.36) NR3C1PGRARTSHRALDH1A1
SCHEMBL8641578 0.81 TSHR (0.47) TSHRALDH1A1MAPTKCNJ1LMNA
SCHEMBL7756479 0.78 TSHR (0.45) TSHRALDH1A1MAPTKCNJ1LMNA
SCHEMBL7753019 0.78 TSHR (0.45) TSHRALDH1A1MAPTKCNJ1LMNA
SCHEMBL7756447 0.76 TSHR (0.41) NR3C1PGRARTSHRALDH1A1
SCHEMBL7753030 0.76 TSHR (0.41) NR3C1PGRARTSHRALDH1A1
SCHEMBL7757180 0.74 TSHR (0.44) NR3C1PGRARTSHRALDH1A1
SCHEMBL7756415 0.71 MAPT (0.42) NR3C1PGRARTSHRALDH1A1
SCHEMBL7755756 0.70 TSHR (0.42) TSHRALDH1A1MAPTKCNJ1LMNA
SCHEMBL7753025 0.69 LOXL2 (0.39) TSHRALDH1A1MAPTKCNJ1LMNA

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