SCHEMBL11820573

SCHEMBL11820573

COc1ccc(C2(c3cccc(C)n3)OCCCO2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MAOA P21397 1/20 0.36
LMNA P02545 2/20 0.36
CASP1 P29466 2/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.34
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33

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
SCHEMBL11816820 0.81 KCNH2 (0.40) ALDH1A1KDM4EL3MBTL1LMNAPDE4A
SCHEMBL18287909 0.81 MAOA (0.47) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL11821249 0.80 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL11820552 0.78 PDE4A (0.37) ALDH1A1L3MBTL1MAPTHPGDLMNA
SCHEMBL18287910 0.74 MAOA (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
Benzene SCHEMBL11821265 0.71 KDM4E (0.37) ALDH1A1KDM4EKMT2AL3MBTL1LMNA
SCHEMBL18535734 0.68 MAOA (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL18844367 0.67 ADRA1B (0.37) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL14722574 0.62 CCR1 (0.40) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL13680448 0.62 KDM4E (0.58) ALDH1A1KDM4EMEN1NPC1RAB9A

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-3941796-A α-(Hydroxy and alkoxy substituted)phenyl-α-(2-piperidinyl)-methanols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1976-03-02 US disclosed