SCHEMBL7802109

SCHEMBL7802109

CC(C(=O)O)(c1cccc2ccccc12)C1CCCCC1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.44
SCN5A Q14524 1/20 0.44
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SSTR4 P31391 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR1 P21554 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 2/20 0.35
EPHX2 P34913 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
Hydrochloric Acid SCHEMBL7799076 0.99 KCNA5 (0.43) KCNA5SCN5ASIGMAR1ALDH1A1KDM4E
SCHEMBL7798816 0.72 SMN1; SMN2 (0.43) KCNA5ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7798819 0.72 SMN1; SMN2 (0.43) KCNA5ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7793156 0.71 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7793154 0.71 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL7802084 0.70 KCNA5 (0.46) KCNA5SCN5ASIGMAR1ALDH1A1KDM4E
SCHEMBL7802082 0.70 KCNA5 (0.46) KCNA5SCN5ASIGMAR1ALDH1A1KDM4E
SCHEMBL8989843 0.70 KCNA5 (0.46) KCNA5SCN5ASIGMAR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7799149 0.70 KCNA5 (0.45) KCNA5SCN5ASIGMAR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7799146 0.70 KCNA5 (0.45) KCNA5SCN5ASIGMAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0720605-B1 AMINOCYCLOHEXYLESTERS AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2001-12-19 EP claimed