SCHEMBL11529926

SCHEMBL11529926

COC(=O)c1ccc2cc3c(cc2c1)C1C=CC3C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.49
LCK P06239 1/20 0.47
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
PLAU P00749 2/20 0.42
HGFAC Q04756 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HSP90AA1 P07900 2/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL11526685 0.86 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL9979782 0.80 PTPN11 (0.64) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL69025 0.80 PTPN11 (0.68) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL29365729 0.80 PTPN11 (0.68) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL8732524 0.78 PTPN11 (0.66) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL709231 0.78 LCK (0.62) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL23692611 0.75 CA1 (0.69) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL10900668 0.75 ALOX15 (0.58) PTPN11LCKCYP19A1CYP11B1CYP11B2
SCHEMBL19688206 0.75 CA12 (0.39) CA1CA2CA12CA7CA9
SCHEMBL18288017 0.75 ALOX15 (0.58) PTPN11LCKCYP19A1CYP11B1CYP11B2

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-4132750-A RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES SHOWA DENKO K.K. (JP) 1979-01-02 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed
US-3959234-A CATALYSTS OF ORGANOALUMINUM COMPOUNDS AND A TUNGSTEN OR MOLYBDENUM COMPOUND, RING-OPENING SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-05-25 US disclosed