SCHEMBL6655640

SCHEMBL6655640

CCOC(=O)/C(F)=C/CCCOC1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA3 P0DMS8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15326142 0.86 MEN1 (0.44) MEN1KMT2AADORA3NPC1RAB9A
SCHEMBL6657927 0.85 MEN1 (0.49) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6657931 0.85 MEN1 (0.49) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6657925 0.85 MEN1 (0.49) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL14671407 0.81 MEN1 (0.51) MEN1KMT2AL3MBTL1KDM4C
SCHEMBL6903532 0.78 MAPT (0.48) MEN1KMT2AADORA3KDM4CALDH1A1
SCHEMBL14671433 0.77 MEN1 (0.45) MEN1KMT2AL3MBTL1KDM4C
SCHEMBL8003850 0.77 MEN1 (0.48) MEN1KMT2AL3MBTL1RAB9ACYP1A2
SCHEMBL16001837 0.76 MEN1 (0.44) MEN1KMT2A
SCHEMBL14671441 0.76 MEN1 (0.44) MEN1KMT2A

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
EP-1110943-B1 6-FLUOROBICYCLO 3. 1.0]HEXANE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2004-06-16 EP disclosed
US-6333428-B1 TREATMENT OR PREVENTION OF PSYCHIATRIC DISORDERS OR NEUROLOGICAL DISEASES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-1110943-A1 6-FLUOROBICYCLO 3. 1.0]HEXANE DERIVATIVES Taisho Pharmaceutical Co. Ltd. (JP) 2001-06-27 EP disclosed