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SCHEMBL810230

SCHEMBL810230

CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C(C)(c5ccc(O)cc5)c5ccc(Oc6ccc(S(=O)(=O)c7ccc(Oc8ccc(C(C)(c9ccc(O)cc9)c9ccc(Oc%10ccc(S(=O)(=O)c%11ccc(Oc%12ccc(C(C)(c%13ccc(O)cc%13)c%13ccc(Oc%14ccc(S(=O)(=O)c%15ccc(Oc%16ccc(C(C)(c%17ccc(O)cc%17)c%17ccc(O)cc%17)cc%16)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.56
▸ PKM P14618 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ ESR1 P03372 5/20 0.50
▸ ESR2 Q92731 5/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ AR P10275 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ ESRRG P62508 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HSD11B1 P28845 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ UQCRB P14927 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
SCHEMBL9679382 0.97 ELANE (0.59) ELANEPKMGAAESR1ESR2
SCHEMBL20127284 0.97 ELANE (0.59) ELANEPKMGAAESR1ESR2
SCHEMBL13365152 0.92 ELANE (0.55) ELANEPKMGAAESR1ESR2
SCHEMBL24612690 0.92 ELANE (0.55) ELANEPKMGAAESR1ESR2
SCHEMBL14549134 0.92 ELANE (0.55) ELANEPKMGAAESR1ESR2
SCHEMBL18707961 0.91 ESR1 (0.54) ELANEPKMGAAESR1ESR2
SCHEMBL12300189 0.91 HTT (0.58) ELANEPKMGAAESR1ESR2
SCHEMBL18978041 0.91 PKM (0.71) ELANEPKMGAAESR1ESR2
SCHEMBL12891364 0.91 PKM (0.71) ELANEPKMGAAESR1ESR2
SCHEMBL18630499 0.91 ESR2 (0.59) ELANEPKMGAAESR1ESR2

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
US-7897650-B2 Ionically conductive polymers for use in fuel cells BATTELLE MEMORIAL INSTITUTE 2011-03-01 — — US disclosed
US-7897650-B2 Ionically conductive polymers for use in fuel cells BATTELLE MEMORIAL INSTITUTE 2011-03-01 — — US disclosed
US-20090061277-A1 Ionically conductive polymers for use in fuel cells BATTELLE MEMORIAL INSTITUTE 2009-03-05 — — US disclosed
US-20090061277-A1 Ionically conductive polymers for use in fuel cells BATTELLE MEMORIAL INSTITUTE 2009-03-05 — — US disclosed