SCHEMBL7714514

SCHEMBL7714514

COC(=O)C1=Cc2ccccc2CCC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
TRPA1 O75762 5/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
PIN1 Q13526 1/20 0.35

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
SCHEMBL7712477 0.82 MTNR1B (0.38) MEN1MAPTKMT2ADRD2TRPA1
SCHEMBL7708889 0.79 DRD2 (0.38) MEN1MAPTKMT2ADRD2MTNR1A
SCHEMBL7714886 0.77 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL7714890 0.75 CYP19A1 (0.34) MTNR1AMTNR1B
SCHEMBL27430836 0.74 HIF1A (0.36) CA12CA9
SCHEMBL7911204 0.73 CA12 (0.50) TRPA1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL31090834 0.73 CA12 (0.50) TRPA1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL7712802 0.73 MAOA (0.34) MTNR1AMTNR1BHSD17B10TSHR
SCHEMBL17158332 0.72 KDM4E (0.39) MEN1KMT2AMTNR1AMTNR1BKDM4E
SCHEMBL17158331 0.72 KDM4E (0.39) MEN1KMT2AMTNR1AMTNR1BKDM4E

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