SCHEMBL7058870

SCHEMBL7058870

C=CC(CCCCCCCCCCCCC)(COC(C)=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 4/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.37
HPGD P15428 1/20 0.35
CES2 O00748 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
PTPN1 P18031 1/20 0.33
SMPD1 P17405 1/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 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
SCHEMBL15859490 0.85 CES2 (0.41) TSHRMEN1MAPTKMT2AATM
SCHEMBL5961394 0.85 CES2 (0.41) TSHRMEN1MAPTKMT2AATM
SCHEMBL4662016 0.85 CES2 (0.41) TSHRMEN1MAPTKMT2AATM
SCHEMBL7059895 0.83 CES2 (0.40) TSHRMEN1MAPTKMT2AATM
SCHEMBL5280547 0.82 CES2 (0.39) TSHRMEN1MAPTKMT2AATM
SCHEMBL9324160 0.82 CES2 (0.39) TSHRMEN1MAPTKMT2AATM
SCHEMBL10799489 0.78 ALDH1A1 (0.48) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL9001061 0.78 ALDH1A1 (0.48) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL10794543 0.78 ALDH1A1 (0.48) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL9001056 0.78 ALDH1A1 (0.48) ALDH1A1TSHRMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787750-B1 Poly(alkylethylene) structural isomers BOREALIS GMBH (AT) 2003-05-14 EP claimed
EP-0363171-B1 Method of and apparatus for forming volume type phase hologram FUJITSU LTD (JP) 1994-02-23 EP claimed