SCHEMBL7965886

SCHEMBL7965886

CC1(C)OCC(COCc2ccc(C#N)cc2)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
MAOB P27338 3/20 0.37
CYP2A6 P11509 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F10 P00742 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CHRM3 P20309 1/20 0.34
GBA1 P04062 1/20 0.34
UGCG Q16739 1/20 0.34
GBA2 Q9HCG7 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL16070576 0.88 CA2 (0.40) CA2SMN1; SMN2F10ALDH1A1NPSR1
SCHEMBL16070674 0.85 CA2 (0.37) CA2SMN1; SMN2F10ALDH1A1NPSR1
SCHEMBL26510718 0.85 CA2 (0.43) CA2SMN1; SMN2F10ALDH1A1NPSR1
SCHEMBL7968239 0.83 CA2 (0.46) CA2F10ALDH1A1NPSR1TMEM97
SCHEMBL17434412 0.83 CA2 (0.42) CA2F10ALDH1A1NPSR1TMEM97
SCHEMBL7968245 0.83 CA2 (0.46) CA2F10ALDH1A1NPSR1TMEM97
SCHEMBL2182755 0.83 TMEM97 (0.48) CA2L3MBTL1F10ALDH1A1NPSR1
SCHEMBL5606199 0.83 TMEM97 (0.48) CA2L3MBTL1F10ALDH1A1NPSR1
SCHEMBL565818 0.83 TMEM97 (0.48) CA2L3MBTL1F10ALDH1A1NPSR1
SCHEMBL1195175 0.82 CA2 (0.41) CA2L3MBTL1F10ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed