SCHEMBL11645761

SCHEMBL11645761

CCCCOc1cc(-c2cc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CTSV O60911 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ SENP8 Q96LD8 2/20 0.43
▸ SENP7 Q9BQF6 2/20 0.43
▸ SENP6 Q9GZR1 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL11644311 0.96 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
SCHEMBL11642641 0.85 CA12 (0.45) ALOX15CA12CA1CA2CA9
SCHEMBL11530127 0.85 MAPT (0.51) ALOX15CA12CA1CA2CA9
SCHEMBL11642839 0.83 CA12 (0.44) ALOX15CA12CA1CA2CA9
SCHEMBL11640213 0.83 CA12 (0.44) ALOX15CA12CA1CA2CA9
SCHEMBL11648910 0.83 ALOX15 (0.46) ALOX15CA12CA1CA2CA9
SCHEMBL11643647 0.82 RAB9A (0.50) ALOX15CA12CA1CA2CA9
SCHEMBL11646159 0.82 CA12 (0.46) ALOX15CA12CA1CA2CA9
Toluene SCHEMBL11596293 0.81 MAPT (0.47) ALOX15CA12CA1CA2CA9
SCHEMBL11659567 0.80 RAB9A (0.57) ALOX15CTSVCTSLMAPTKDM4E

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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