SCHEMBL11642641

SCHEMBL11642641

O=S(=O)(Oc1ccc(-c2cc3ccccc3[nH]2)cc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39

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
SCHEMBL11640213 0.85 CA12 (0.44) CA12CA1CA2CA9NPC1
SCHEMBL11645761 0.85 ALOX15 (0.47) CA12CA1CA2CA9NPC1
SCHEMBL11642839 0.85 CA12 (0.44) CA12CA1CA2CA9NPC1
SCHEMBL11530127 0.84 MAPT (0.51) CA12CA1CA2CA9NPC1
SCHEMBL11644311 0.83 ALOX15 (0.52) CA12CA1CA2CA9NPC1
SCHEMBL11655564 0.82 RAB9A (0.53) NPC1RAB9ACYP1A2PDE4APDE4B
SCHEMBL11646159 0.81 CA12 (0.46) CA12CA1CA2CA9NPC1
SCHEMBL11643565 0.81 MAPT (0.49) NPC1RAB9ACYP1A2CYP2D6PDGFRB
SCHEMBL11641017 0.81 CA2 (0.53) CA12CA1CA2CA9NPC1
Toluene SCHEMBL11596293 0.80 MAPT (0.47) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4129572-A TO STABILIZE POLYMERS USED IN FOOD PACKAGING INDUSTRY LABAZ (FR) 1978-12-12 — — US disclosed
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