SCHEMBL8538356

SCHEMBL8538356

COc1ccc(OCCCCCCCc2nccn2CCO)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90B1 P14625 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR8 Q9NR97 1/20 0.37
LMNA P02545 1/20 0.37
DRD3 P35462 1/20 0.36

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
SCHEMBL8536773 0.89 SMN1; SMN2 (0.41) S1PR4MAPK1HTTMEN1TP53
SCHEMBL9270152 0.87 HTT (0.42) S1PR4MAPK1HTTMEN1TP53
SCHEMBL8540593 0.85 S1PR4 (0.42) S1PR4MAPK1HTTMEN1TP53
SCHEMBL8535541 0.85 MRGPRX4 (0.43) S1PR4MAPK1HSP90B1MAPTMRGPRX4
SCHEMBL9264976 0.84 HTT (0.43) S1PR4MAPK1HTTMEN1TP53
SCHEMBL8536878 0.79 KDM4E (0.40) S1PR4MAPK1MEN1TP53KMT2A
SCHEMBL8538232 0.79 MRGPRX4 (0.41) S1PR4MAPK1MEN1TP53KMT2A
SCHEMBL8540415 0.79 HTT (0.53) S1PR4MAPK1HTTMEN1TP53
SCHEMBL8903264 0.76 MAPT (0.60) S1PR4MAPK1HTTMEN1KMT2A
SCHEMBL9826221 0.76 CALM1 (0.48) MEN1TP53KMT2AHSP90B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP claimed
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 US disclosed
US-5272167-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-12-21 US disclosed
EP-0560407-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-09-15 EP disclosed
WO-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 WO disclosed
EP-0407217-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1991-01-09 EP disclosed
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 US disclosed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP disclosed