SCHEMBL9622223

SCHEMBL9622223

COc1ccc(CSC2CCN(CCCCCOc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.56
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9622863 0.96 CPT1B (0.57) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9622314 0.89 CPT1B (0.69) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9623027 0.87 CPT1B (0.74) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9623012 0.87 CPT1B (0.56) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9622843 0.85 CPT1B (0.46) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9622860 0.85 CPT1B (0.50) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9015980 0.85 CPT1B (0.73) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9622241 0.84 CPT1B (0.45) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9622237 0.83 CPT1B (0.54) CPT1BKDM4EKMT2AALDH1A1MEN1
SCHEMBL9366603 0.83 CPT1B (0.55) CPT1BKDM4EKMT2AALDH1A1MEN1

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed