SCHEMBL7714513

SCHEMBL7714513

COC(=O)C1=Cc2ccccc2C(C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
HPGD P15428 3/20 0.34
GLA P06280 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 3/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PRKCZ Q05513 1/20 0.33

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
SCHEMBL7712525 0.83 CA12 (0.45) CA12CA9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7708576 0.80 CA12 (0.42) CA12CA9ALDH1A1SMN1; SMN2LMNA
SCHEMBL7714911 0.77 CA12 (0.40) CA12CA9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7714497 0.74 GRM7 (0.33) LMNA
SCHEMBL7714503 0.74 GRM7 (0.31)
SCHEMBL7712848 0.72 CA12 (0.43) CA12CA9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31090834 0.71 CA12 (0.50) CA12CA9ALDH1A1SMN1; SMN2LMNA
SCHEMBL7911204 0.71 CA12 (0.50) CA12CA9ALDH1A1SMN1; SMN2LMNA
SCHEMBL7378104 0.69 CA12 (0.48) CA12CA9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17158191 0.68 CA12 (0.47) CA12CA9LMNAKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed