SCHEMBL4627893

SCHEMBL4627893

Pc1ccc(Cc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
ALOX5 P09917 1/20 0.41
HTR2A P28223 1/20 0.39
CTRC Q99895 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
Hydrochloric Acid SCHEMBL5091607 0.98 CALM1 (0.42) CALM1BCL2BCL2L1ALOX5HTR2A
Bromide SCHEMBL5085291 0.98 CALM1 (0.42) CALM1BCL2BCL2L1ALOX5HTR2A
Iodide SCHEMBL5086774 0.98 CALM1 (0.42) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL1046166 0.87 CALM1 (0.58) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL4250559 0.83 CALM1 (0.44) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL5576274 0.77 CALM1 (0.46) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL11843990 0.77 TP53 (0.48) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL31167415 0.77 TP53 (0.48) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL1704793 0.75 CALM1 (0.44) CALM1BCL2BCL2L1ALOX5HTR2A
SCHEMBL1204710 0.75 CALM1 (0.44) CALM1BCL2BCL2L1ALOX5HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648000-B2 Diene polymerisation INEOS COMMERCIAL SERVICES UK LIMITED (GB) 2014-02-11 US claimed
WO-2012035546-A3 A TAMPER EVIDENT MULTIPLE METALLIZED AND DEMETALLIZED SECURITY DEVICE AND PROCESS FOR PREPARING THE SAME KAPOOR AJAY (IN) 2012-05-10 WO claimed
EP-1918312-B1 Diene polymerisation INEOS COMMERCIAL SERVICES UK (GB) 2011-12-07 EP claimed
US-20080293896-A1 Diene polymerisation INEOS SALES (UK) LIMITED (GB) 2008-11-27 US claimed
EP-1918312-A1 Diene polymerisation INEOS EUROPE LIMITED (GB) 2008-05-07 EP claimed
US-8648000-B2 Diene polymerisation INEOS COMMERCIAL SERVICES UK LIMITED (GB) 2014-02-11 US disclosed
WO-2012035546-A3 A TAMPER EVIDENT MULTIPLE METALLIZED AND DEMETALLIZED SECURITY DEVICE AND PROCESS FOR PREPARING THE SAME KAPOOR AJAY (IN) 2012-05-10 WO disclosed
EP-1918312-B1 Diene polymerisation INEOS COMMERCIAL SERVICES UK (GB) 2011-12-07 EP disclosed
US-20080293896-A1 Diene polymerisation INEOS SALES (UK) LIMITED (GB) 2008-11-27 US disclosed
EP-1918312-A1 Diene polymerisation INEOS EUROPE LIMITED (GB) 2008-05-07 EP disclosed
EP-1918311-A1 Diene polymerisation INEOS EUROPE LIMITED (GB) 2008-05-07 EP disclosed
EP-1023342-A1 GAS PHASE POLYMERIZATION OF VINYLPOLYBUTADIENE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-08-02 EP disclosed
WO-1999012983-A1 GAS PHASE POLYMERIZATION OF VINYLPOLYBUTADIENE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-03-18 WO disclosed
US-5879805-A USING CATALYST COMPRISING A COBALT COMPOUND, A PHOSPHINE, XANTHOGEN THIOCYANIDE, CARBON DISULFIDE, AN ORGANOALUMINUM COMPOUND UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-03-09 US disclosed