SCHEMBL5629600

SCHEMBL5629600

C=CC(O)C1=NC(C=CCCCCCCCCCCCCCCC)CN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.37
PTGS1 P23219 1/20 0.37
PPARG P37231 1/20 0.37
OPRK1 P41145 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP3A4 P08684 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNB2 Q08289 1/20 0.35
CACNA1C Q13936 1/20 0.35
SPHK2 Q9NRA0 4/20 0.31
SPHK1 Q9NYA1 4/20 0.31
MAPT P10636 3/20 0.31
CETP P11597 3/20 0.31
GMNN O75496 2/20 0.31
LMNA P02545 2/20 0.31
GLA P06280 2/20 0.31
POLB P06746 2/20 0.31
THRB P10828 2/20 0.31
MAPK1 P28482 2/20 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
SCHEMBL5632259 0.81 ABCG2 (0.37) ABCG2PTGS1PPARGOPRK1MEN1
SCHEMBL5629432 0.78 ALDH1A1 (0.35) ABCG2PTGS1PPARGOPRK1CYP3A4
SCHEMBL5632896 0.77 GBA1 (0.31) ABCG2PTGS1PPARGOPRK1SPHK1
SCHEMBL11204048 0.75 FAAH (0.33) MAPTGMNNLMNAPOLBBLM
SCHEMBL5881248 0.75 TNNC1 (0.32) MAPTGMNNLMNAPOLBBLM
SCHEMBL6161362 0.74 CCR5 (0.36)
SCHEMBL5632301 0.73 NAAA (0.36) MAPTGMNNLMNAPOLBBLM
SCHEMBL5630787 0.73 NAAA (0.36) MAPTGMNNLMNAPOLBBLM
SCHEMBL5632333 0.73 NAAA (0.36) MAPTGMNNLMNAPOLBBLM
SCHEMBL6940547 0.71 ALDH1A1 (0.35) ALDH1A1TSHR

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-20070293406-A1 POWER TRANSMISSION FLUID WITH ENHANCED FRICTION CHARACTERISTICS AFTON CHEMICAL CORPORATION 2007-12-20 US disclosed