SCHEMBL11529327

SCHEMBL11529327

CCC1=C(C(=O)OC)C2C=CC1C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.36
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.32
ADORA3 P0DMS8 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11527344 0.86 CNR1 (0.34) SLC6A3TSHRALDH1A1ADORA3MEN1
SCHEMBL4192960 0.82 SLC6A3 (0.42) SLC6A3TSHRGAAPOLBNPSR1
SCHEMBL11527734 0.81 DNTT (0.39) POLB
SCHEMBL11526468 0.79 ADORA3 (0.47) SLC6A3TSHRALDH1A1ADORA3GAA
SCHEMBL11583334 0.76 SLC6A3 (0.41) SLC6A3TSHRALDH1A1GAAMAPT
SCHEMBL13947949 0.76 SLC6A3 (0.38) SLC6A3TSHRALDH1A1GAAMEN1
SCHEMBL12395334 0.74 SLC6A3 (0.37) SLC6A3TSHRALDH1A1GAAMAPT
SCHEMBL11525443 0.73 MAPK1 (0.37) ALDH1A1KMT2A
SCHEMBL15586518 0.70 HSD17B10 (0.39) SLC6A3TSHRGAAPOLBNPSR1
SCHEMBL11529890 0.69 ALDH1A1 (0.38) ALDH1A1GAAHPGDKMT2ANPSR1

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 4 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-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-3959234-A CATALYSTS OF ORGANOALUMINUM COMPOUNDS AND A TUNGSTEN OR MOLYBDENUM COMPOUND, RING-OPENING SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-05-25 US disclosed