SCHEMBL22198101

SCHEMBL22198101

Cc1ccc(C(=O)/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
PTGS2 P35354 1/20 0.65
TNFRSF1A P19438 1/20 0.63
MAPT P10636 3/20 0.61
MAOA P21397 3/20 0.59
MAOB P27338 3/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
GABBR2 O75899 1/20 0.57
GABBR1 Q9UBS5 1/20 0.57
CYP1B1 Q16678 2/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CYP1A1 P04798 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 1/20 0.53
CXCL12 P48061 1/20 0.52
PKM P14618 2/20 0.51
HTT P42858 2/20 0.51

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
SCHEMBL13764739 0.90 TNFRSF1A (0.65) TNFRSF1AMAPTMAOAMAOBPOLB
SCHEMBL570958 0.90 MAPT (0.52) PTGS1PTGS2TNFRSF1AMAPTMAOA
SCHEMBL15166601 0.90 MAPT (0.52) PTGS1PTGS2TNFRSF1AMAPTMAOA
SCHEMBL11096408 0.87 TNFRSF1A (0.78) TNFRSF1AMAPTMAOAMAOBRAB9A
SCHEMBL11096416 0.87 TNFRSF1A (0.78) TNFRSF1AMAPTMAOAMAOBRAB9A
SCHEMBL13764728 0.80 TNFRSF1A (0.57) TNFRSF1AMAPTMAOBGABBR2GABBR1
SCHEMBL11893207 0.79 MAPT (0.65) MAPTMAOAMAOBPOLBRAB9A
SCHEMBL7087513 0.78 TNFRSF1A (0.79) PTGS1PTGS2TNFRSF1AMAPTRAB9A
SCHEMBL7087511 0.78 TNFRSF1A (0.79) PTGS1PTGS2TNFRSF1AMAPTRAB9A
SCHEMBL14616109 0.78 TNFRSF1A (0.54) TNFRSF1AMAPTMAOAMAOBPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369954-A1 QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-11-26 US disclosed
US-20200262979-A1 HYDROXYL-FUNCTIONAL POLYAMINE SILICONE LIGAND SUITABLE FOR QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-08-20 US disclosed
US-20200216752-A1 HYDROXYL-FUNCTIONAL UNSATURATED POLYAMINE SILICONE LIGAND SUITABLE FOR QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-07-09 US disclosed