SCHEMBL20569274

SCHEMBL20569274

CC1(C)CB(c2ccc3cc(OCCCCCO)ccc3c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PDK2 Q15119 3/20 0.34
PDE2A O00408 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
DRD3 P35462 1/20 0.33
HDAC1 Q13547 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
SCHEMBL20108584 0.76 MAPK1 (0.42) HRH3LMNA
SCHEMBL22748350 0.72 LPL (0.47) GAA
SCHEMBL18682504 0.70 NR5A1 (0.55) LMNAPDE2APDE3BPDE3AP2RY12
SCHEMBL24389487 0.70 KDM4E (0.31) HRH3KDM4E
SCHEMBL13285053 0.70 LPL (0.58) KDM4ELMNA
SCHEMBL15694455 0.69 NR5A1 (0.58) LMNATP53
SCHEMBL18682505 0.69 NR5A1 (0.49) PDE2APDE3BPDE3AP2RY12TP53
SCHEMBL18644047 0.69 NR5A1 (0.58) LMNATP53
SCHEMBL20831251 0.69 PDE3B (0.54) KDM4EPDK2PDE2APDE3BPDE3A
SCHEMBL31150296 0.68 PDK2 (0.39) PDK2PDE2APDE3BPDE3AP2RY12

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-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed