SCHEMBL11527344

SCHEMBL11527344

CCCC1=C(C(=O)OC)C2C=CC1C2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
SLC6A3 Q01959 4/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
REV1 Q9UBZ9 1/20 0.30
GRM2 Q14416 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL11527734 0.88 DNTT (0.39) GRM2
SCHEMBL11529327 0.86 SLC6A3 (0.36) SLC6A3MEN1KMT2AHSD17B10TSHR
SCHEMBL4192960 0.80 SLC6A3 (0.42) SLC6A3L3MBTL1HSD17B10TSHR
SCHEMBL11526468 0.76 ADORA3 (0.47) CNR1SLC6A3MEN1KMT2AHSD17B10
SCHEMBL11525443 0.74 MAPK1 (0.37) KMT2AALDH1A1GRM2
SCHEMBL11583334 0.73 SLC6A3 (0.41) CNR2SLC6A3MEN1KMT2AHSD17B10
SCHEMBL13947949 0.73 SLC6A3 (0.38) SLC6A3MEN1KMT2AL3MBTL1TSHR
SCHEMBL12395334 0.72 SLC6A3 (0.37) SLC6A3TSHRALDH1A1
SCHEMBL8070988 0.70
SCHEMBL11529785 0.68 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1HSD17B10TSHR

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