SCHEMBL11526685

SCHEMBL11526685

COC(=O)c1ccc2c(c1)C1C=CC2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11529926 0.86 PTPN11 (0.49) CA1CA2CA12CA7CA9
SCHEMBL17904017 0.79 TSHR (0.41) CA1CA2CA12CA7CA9
SCHEMBL19688206 0.79 CA12 (0.39) CA1CA2CA12CA7CA9
SCHEMBL18670723 0.77 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL18682115 0.77 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL10247441 0.77 RARG (0.52) CA1CA2CA12CA7CA9
SCHEMBL10215462 0.76 SLC6A2 (0.56) CA1CA2CA12CA7CA9
SCHEMBL11152269 0.76 SLC6A2 (0.56) CA1CA2CA12CA7CA9
SCHEMBL17904014 0.73 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL11148222 0.73 SLC6A2 (0.51) CA1CA2CA12CA7CA9

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 6 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-4104325-A Resin composition comprising cyano-substituted norborene polymers blended with graft copolymers SHOWA DENKO K.K. (JP) 1978-08-01 US disclosed
US-4080491-A CATALYST CONTAINS ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF TUNGSTEN OR MOLYBDENUM OXIDE AND A PHOSPHOROUS HALIDE OR OXYHALIDE SHOWA DENKO K.K. (JA) 1978-03-21 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed
US-4021510-A HIGH IMPACT STRENGTH SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-05-03 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