SCHEMBL5323911

SCHEMBL5323911

CC(c1cccc(O)c1O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.45
SMAD3 P84022 3/20 0.45
KCNA5 P22460 3/20 0.43
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 2/20 0.39
MGLL Q99685 1/20 0.38
KCNH2 Q12809 1/20 0.38
BAG3 O95817 1/20 0.38
DPP4 P27487 1/20 0.38
MAPT P10636 1/20 0.38
HSP90AB1 P08238 1/20 0.38
FAAH O00519 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GABRA1 P14867 1/20 0.37

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
SCHEMBL5323121 0.81 ALDH1A1 (0.43) P4HBSMAD3KCNA5CYP3A4TSHR
SCHEMBL12248160 0.75 KCNA5 (0.46) P4HBSMAD3KCNA5CYP3A4TSHR
SCHEMBL11375744 0.74 P4HB (0.51) P4HBSMAD3KCNA5CYP3A4TSHR
SCHEMBL7745378 0.73 DPP4 (0.46) P4HBSMAD3KCNA5CYP3A4TSHR
SCHEMBL4105367 0.73 DPP4 (0.62) KCNA5CYP3A4TSHRCYP2C19ALDH1A1
SCHEMBL13553401 0.72 P4HB (0.52) P4HBSMAD3KCNA5CYP3A4TSHR
SCHEMBL5681454 0.72 HSP90AA1 (0.45) P4HBSMAD3KCNA5CYP3A4TSHR
SCHEMBL11955271 0.72 ALOX12 (0.67) P4HBTSHRALDH1A1HSP90AA1MAPT
SCHEMBL18108809 0.71 ALDH1A1 (0.41) KCNA5CYP3A4TSHRCYP2C19ALDH1A1
SCHEMBL16463458 0.71 ALDH1A1 (0.47) KCNA5CYP3A4TSHRCYP2C19ALDH1A1

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
WO-2007114672-A1 AGENT FOR THE PREVENTION AND TREATMENT OF METABOLIC BONE DISEASE BY ENHANCING OSTEOPROTEGERIN SECRETION OSCOTEC INC. (KR) 2007-10-11 WO disclosed