SCHEMBL7714827

SCHEMBL7714827

CCOC(=O)C1=Cc2ccccc2CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL7712683 0.91 TSHR (0.47) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL29433567 0.91 TSHR (0.47) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL7378104 0.83 CA12 (0.48) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL3567927 0.83 TSHR (0.49) TSHRALDH1A1KDM4EL3MBTL1HPGD
Hydrochloric Acid SCHEMBL3567925 0.82 TSHR (0.47) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL7383220 0.81 TSHR (0.44) TSHRALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL6756729 0.76 MAOA (0.46) TSHRALDH1A1MAPTRAB9ANPC1
SCHEMBL25060076 0.75 MAPT (0.42) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL7714706 0.75 TSHR (0.44) TSHRALDH1A1KDM4EHSD17B10CA12
SCHEMBL8091366 0.75 NOTUM (0.43) TSHRALDH1A1KDM4EL3MBTL1HPGD

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