SCHEMBL11245857

SCHEMBL11245857

CC(=NOCCN1CCOCC1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 1/20 0.52
ALOX5 P09917 1/20 0.51
HTR1A P08908 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KCNH2 Q12809 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.44
CNR2 P34972 1/20 0.43
EPHX2 P34913 1/20 0.43

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 SCHEMBL11243365 0.99 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AALOX5HTR1A
SCHEMBL11242913 0.88 PSMB1 (0.48) ALDH1A1KMT2AHTR1AKCNH2TSHR
SCHEMBL6100704 0.86 L3MBTL1 (0.51) ALDH1A1MAPTKMT2AALOX5KDM4E
Hydrochloric Acid SCHEMBL11232363 0.86 ALDH1A1 (0.47) ALDH1A1HTR1AKCNH2TSHRSIGMAR1
SCHEMBL11241760 0.86 PSMB1 (0.50) KMT2AHTR1AKCNH2TSHRSMN1; SMN2
SCHEMBL6979432 0.86 L3MBTL1 (0.51) ALDH1A1MAPTKMT2AALOX5KDM4E
Hydrochloric Acid SCHEMBL11249166 0.85 PSMB1 (0.49) ALDH1A1HTR1AKCNH2TSHRSIGMAR1
SCHEMBL15597543 0.79 L3MBTL1 (0.62) ALDH1A1MAPTKMT2AALOX5TSHR
SCHEMBL16939762 0.76 L3MBTL1 (0.45) ALDH1A1KMT2AALOX5KDM4ECNR2
SCHEMBL6977002 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AKCNH2KDM4ESIGMAR1

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
US-4342763-A USEFUL AS ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTITUSSIVE AGENTS PROVESAN S.A. (CH) 1982-08-03 US claimed