SCHEMBL8535541

SCHEMBL8535541

COc1ccc(OCCCCCCCc2nccn2CC(=O)O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
PPARG P37231 5/20 0.42
PPARA Q07869 5/20 0.42
HSP90B1 P14625 1/20 0.41
S1PR4 O95977 1/20 0.40
FPR2 P25090 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38

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
SCHEMBL8536878 0.87 KDM4E (0.40) MRGPRX4KDM4EGLAPPARGPPARA
SCHEMBL8538356 0.85 S1PR4 (0.39) MRGPRX4KDM4EGLAHSP90B1S1PR4
SCHEMBL8536773 0.83 SMN1; SMN2 (0.41) GLAS1PR4GAAMAPTMAPK1
SCHEMBL8538232 0.82 MRGPRX4 (0.41) MRGPRX4KDM4EGLAPPARGPPARA
SCHEMBL8540593 0.82 S1PR4 (0.42) MRGPRX4KDM4EGLAS1PR4ALDH1A1
SCHEMBL9270152 0.79 HTT (0.42) MRGPRX4KDM4EGLAS1PR4ALDH1A1
SCHEMBL9264976 0.78 HTT (0.43) MRGPRX4KDM4EGLAS1PR4ALDH1A1
SCHEMBL8540415 0.75 HTT (0.53) MRGPRX4KDM4EGLAS1PR4ALDH1A1
SCHEMBL8903264 0.74 MAPT (0.60) MRGPRX4GLAPPARAS1PR4ALDH1A1
SCHEMBL3964672 0.72 AGTR1 (0.46) FPR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 US claimed
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