SCHEMBL13745817

SCHEMBL13745817

CC/C=C\C/C=C\C/C=C\CCCCCCCCONC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
F7 P08709 2/20 0.47
F3 P13726 2/20 0.47
MAPT P10636 2/20 0.47
CYP19A1 P11511 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
OXER1 Q8TDS5 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
FFAR1 O14842 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PLA2G1B P04054 1/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
PPARG P37231 1/20 0.47

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
SCHEMBL13745383 0.89 ALDH1A1 (0.51) ALDH1A1
SCHEMBL13745196 0.82 LPAR2 (0.50) LPAR2LPAR3LPAR1
SCHEMBL19687307 0.82 CNR1 (0.58) ALDH1A1MAPTTDP1KDM4EMEN1
SCHEMBL130135 0.80 ALDH1A1 (0.53) ALDH1A1F7F3MAPTCYP19A1
SCHEMBL4465665 0.79 ALDH1A1 (0.65) ALDH1A1F7F3MAPTCYP19A1
SCHEMBL4465662 0.79 ALDH1A1 (0.65) ALDH1A1F7F3MAPTCYP19A1
SCHEMBL12621535 0.79 LPAR2 (0.55) ALDH1A1F7F3MAPTCYP19A1
SCHEMBL27445423 0.79 LPAR2 (0.55) ALDH1A1F7F3MAPTCYP19A1
SCHEMBL16312433 0.79 LPAR2 (0.55) ALDH1A1F7F3MAPTCYP19A1
SCHEMBL13040138 0.77 ALDH1A1 (0.50) ALDH1A1F7F3MAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090211907-A1 Separation Medium for Biochemical Analysis JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed