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Paxilline

Paxilline

SCHEMBL20857134

CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O.CC1(C)O[C@@]23CC[C@@]4(C)[C@@](O)(CCC5Cc6c([nH]c7ccccc67)[C@@]54C)C2=CC(=O)[C@@H]1O3

nearest known ligand 0.78

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.78
▸ MEN1 O00255 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ CYP1A2 P05177 1/20 0.78
▸ CYP3A4 P08684 1/20 0.78
▸ ALOX15 P16050 1/20 0.78
▸ TDP1 Q9NUW8 1/20 0.78
▸ ATP2A2 P16615 1/20 0.78
▸ HTT P42858 1/20 0.78
▸ NPSR1 Q6W5P4 1/20 0.78
▸ ATP2A3 Q93084 1/20 0.78
▸ PTPN1 P18031 6/20 0.58
▸ PTPN2 P17706 4/20 0.58
▸ PGR P06401 2/20 0.42
▸ KIF11 P52732 3/20 0.40
▸ PTPRS Q13332 1/20 0.39
▸ GPR18 Q14330 2/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32

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
Paxilline SCHEMBL25470668 0.88 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
Paxilline SCHEMBL25470663 0.88 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
Paxilline SCHEMBL5955728 0.88 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
Paxilline SCHEMBL25011262 0.88 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
Paxilline SCHEMBL361232 0.88 MAPT (1.00) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3130176 0.88 PTPN1 (0.57) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29934361 0.80 MAPT (0.69) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29934798 0.79 MAPT (0.81) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL30791271 0.77 MAPT (0.43) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL13883195 0.76 MAPT (0.76) MAPTMEN1KMT2ACYP1A2CYP3A4

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-3688167-A1 MODULAR DNA ASSEMBLY SYSTEM Victoria Link Limited (NZ) 2020-08-05 — — EP disclosed
EP-3688174-A1 HETEROLOGOUS BIOSYNTHESIS OF NODULISPORIC ACID Victoria Link Limited (NZ) 2020-08-05 — — EP disclosed
WO-2019064243-A1 HETEROLOGOUS BIOSYNTHESIS OF NODULISPORIC ACID VICTORIA LINK LIMITED (NZ) 2019-04-04 — — WO disclosed
WO-2019064242-A1 MODULAR DNA ASSEMBLY SYSTEM VICTORIA LINK LIMITED (NZ) 2019-04-04 — — WO disclosed