SCHEMBL11166353

SCHEMBL11166353

CCOC(=O)CC(C)N1CCN(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.58
OPRM1 P35372 2/20 0.51
ATM Q13315 1/20 0.49
GAA P10253 3/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MGLL Q99685 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL27813365 0.85 MEN1 (0.52) ALDH1A1MAPTLMNAMGLL
SCHEMBL3045773 0.82 PKM (0.65) GAATSHRALDH1A1MAPTLMNA
SCHEMBL25409382 0.82 GAA (0.49) RAD52OPRM1ATMGAATSHR
SCHEMBL14860445 0.77 ALDH1A1 (0.60) ATMTSHRALDH1A1MAPTKDM4E
SCHEMBL7248629 0.77 L3MBTL1 (0.62) OPRM1
SCHEMBL25219142 0.77 ALDH1A1 (0.47) ATMGAATSHRALDH1A1MAPT
SCHEMBL4073904 0.77 CHRM2 (0.38) GAATSHRALDH1A1LMNAKDM4E
SCHEMBL3271825 0.76 ALDH1A1 (0.45) GAATSHRALDH1A1MAPTLMNA
SCHEMBL10269322 0.76 CHRNA7 (0.56) RAD52OPRM1ATMALDH1A1LMNA
SCHEMBL12251138 0.75 MGAM (0.36) GAATSHRALDH1A1MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034752-B1 PHENOXYALKANE DERIVATIVE AND PROCESSES FOR PREPARING SAME Tanabe Seiyaku Co., Ltd. (JP) 1983-06-08 EP disclosed
EP-0034752-A1 Phenoxyalkane derivative and processes for preparing same Tanabe Seiyaku Co., Ltd. (JP) 1981-09-02 EP disclosed