SCHEMBL8952385

SCHEMBL8952385

CCC=CCCCCCn1c(=O)ccn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.41
FAAH O00519 3/20 0.37
ALDH1A1 P00352 4/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
MAPT P10636 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
OXER1 Q8TDS5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
FFAR1 O14842 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PLA2G1B P04054 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL8431320 1.00 MGLL (0.41) MGLLFAAHALDH1A1F7F3
SCHEMBL8070632 0.88 MMP1 (0.31) ALDH1A1MAPTCYP19A1OXER1FFAR1
SCHEMBL8431022 0.82 TSHR (0.33) MGLLALDH1A1TDP1MEN1LMNA
SCHEMBL9242254 0.79 ALDH1A1 (0.42) MGLLFAAHALDH1A1MAPTCYP3A4
SCHEMBL7605770 0.76 KDM4E (0.39) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL8070808 0.76 KDM4E (0.39) ALDH1A1MAPTHSD17B10TDP1KDM4E
SCHEMBL8435242 0.75 MGLL (0.40) MGLLFAAHALDH1A1F7F3
Methylhydrazine SCHEMBL10992520 0.75 HSP90AA1 (0.40) MGLLFAAHALDH1A1MAPTCYP3A4
SCHEMBL21911678 0.71 ALDH1A1 (0.39) ALDH1A1MAPTCYP3A4HSD17B10KDM4E
SCHEMBL9122047 0.71 PDE4A (0.47) MAPTKDM4ELMNABLMCNR1

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-0697873-A4 1996-04-03 EP disclosed
EP-0697873-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1996-02-28 EP disclosed
WO-1994015606-A1 OLEFIN-SUBSTITUTED LONG CHAIN COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-07-21 WO disclosed