SCHEMBL5075836

SCHEMBL5075836

CC(C)(C)c1cc(Oc2cc(Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(=O)c3ccc(O)cc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.50
SIRT1 Q96EB6 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
STS P08842 1/20 0.40
GABRA1 P14867 1/20 0.40

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
SCHEMBL5079225 0.90 ELANE (0.53) ELANESIRT1LMNAHTTESR1
SCHEMBL5074997 0.87 MAPT (0.51) SIRT1LMNAHTTMAPTHPGD
SCHEMBL5075259 0.85 LMNA (0.58) ELANESIRT1LMNAHTTESR1
SCHEMBL5075849 0.81 ALOX5 (0.44) ELANEMAPTCNR1CNR2RXRA
SCHEMBL24215587 0.81 ELANE (0.60) ELANESIRT1LMNAHTTESR1
SCHEMBL20274247 0.81 ELANE (0.60) ELANESIRT1LMNAHTTESR1
SCHEMBL18413773 0.81 ELANE (0.60) ELANESIRT1LMNAHTTESR1
SCHEMBL14301546 0.81 ELANE (0.60) ELANESIRT1LMNAHTTESR1
SCHEMBL5078484 0.78 SRD5A2 (0.61) LMNAHTTESR1ESR2MAPT
SCHEMBL20827662 0.77 ELANE (0.55) ELANESIRT1LMNAHTTESR1

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