SCHEMBL6652984

SCHEMBL6652984

CCOC(=O)C(F)=CCCCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
NPSR1 Q6W5P4 2/20 0.37
GLO1 Q04760 1/20 0.37
FAAH O00519 2/20 0.37
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL6652981 1.00 CYP4F2 (0.40) CYP4F2CYP4A11NPSR1GLO1FAAH
SCHEMBL16001855 0.89 NPSR1 (0.39) CYP4F2CYP4A11NPSR1GLO1FAAH
SCHEMBL14721786 0.84 FAAH (0.54) NPSR1FAAHCYP1A2MEN1MAPT
SCHEMBL31190390 0.84 FAAH (0.54) NPSR1FAAHCYP1A2MEN1MAPT
SCHEMBL14721787 0.84 FAAH (0.54) NPSR1FAAHCYP1A2MEN1MAPT
SCHEMBL14616333 0.82 NPSR1 (0.41) NPSR1GLO1FAAHCYP1A2ALDH1A1
SCHEMBL13429276 0.82 NPSR1 (0.41) NPSR1GLO1FAAHCYP1A2ALDH1A1
SCHEMBL31547163 0.81 FAAH (0.44) NPSR1FAAHCYP1A2ALDH1A1MAPT
SCHEMBL9322499 0.81 FAAH (0.59) NPSR1FAAHCYP1A2MEN1MAPT
SCHEMBL13772346 0.81 CYP1A2 (0.42) NPSR1GLO1FAAHCYP1A2ALDH1A1

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