SCHEMBL5079225

SCHEMBL5079225

CC(C)(C)c1ccc(Oc2cc(Oc3ccc(C(C)(C)C)cc3)cc(C(=O)c3ccc(O)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
SIRT1 Q96EB6 1/20 0.53
SRD5A2 P31213 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MAPT P10636 3/20 0.48
FGFR2 P21802 1/20 0.47
LMNA P02545 3/20 0.47
TYR P14679 1/20 0.47
PARP10 Q53GL7 1/20 0.46
HPGD P15428 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL24215587 0.92 ELANE (0.60) ELANESIRT1SRD5A2MAPTFGFR2
SCHEMBL20274247 0.92 ELANE (0.60) ELANESIRT1SRD5A2MAPTFGFR2
SCHEMBL18413773 0.92 ELANE (0.60) ELANESIRT1SRD5A2MAPTFGFR2
SCHEMBL14301546 0.92 ELANE (0.60) ELANESIRT1SRD5A2MAPTFGFR2
SCHEMBL5075836 0.90 ELANE (0.50) ELANESIRT1SRD5A2CNR1CNR2
SCHEMBL20827662 0.88 ELANE (0.55) ELANESIRT1SRD5A2CNR1CNR2
SCHEMBL19339948 0.86 SRD5A2 (0.66) ELANESIRT1SRD5A2MAPTFGFR2
SCHEMBL26999140 0.86 SRD5A2 (0.66) ELANESIRT1SRD5A2MAPTFGFR2
SCHEMBL19540525 0.84 ELANE (0.51) ELANESIRT1SRD5A2MAPTFGFR2
SCHEMBL26109085 0.84 ELANE (0.51) ELANESIRT1SRD5A2MAPTFGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359176-B1 Polycarbonates, polyestercarbonates and polyesters having specific branched endgroups BAYER MATERIALSCIENCE AG (DE) 2008-08-27 EP disclosed
US-6825312-B2 POLYCARBONATESTER COPOLYMER MOLDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2004-11-30 US disclosed
US-20040030090-A1 Polycarbonates, polyester carbonates and polyesters with special branched terminal groups BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1359176-A2 Polycarbonates, polyestercarbonates and polyesters having specific branched endgroups Bayer Aktiengesellschaft (DE) 2003-11-05 EP disclosed