SCHEMBL5632259

SCHEMBL5632259

C=CC(O)C1=NC(CCCCCCCC/C=C\CCCCCCCC)CN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB2 Q08289 1/20 0.37
CACNA1C Q13936 1/20 0.37
PTGS1 P23219 1/20 0.36
PPARG P37231 1/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 2/20 0.32
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 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
SCHEMBL5629432 0.96 ALDH1A1 (0.35) ABCG2CACNA2D1CACNB2CACNA1CPTGS1
SCHEMBL5632896 0.95 GBA1 (0.31) ABCG2PTGS1PPARGOPRK1
SCHEMBL5629600 0.81 ABCG2 (0.37) ABCG2CACNA2D1CACNB2CACNA1CPTGS1
SCHEMBL9468205 0.76 SCN2A (0.42) MEN1CYP3A4KMT2ACYP1A2CYP2C19
SCHEMBL11752241 0.75 ALDH1A1 (0.37) PTGS1PPARGMEN1CYP3A4KMT2A
SCHEMBL217509 0.75 EPHX2 (0.35) EPHX2GMNNUSP2LMNACYP1A2
SCHEMBL8031341 0.75 MMP2 (0.36) EPHX2GMNNUSP2LMNACYP1A2
Sulfuric Acid SCHEMBL10539699 0.73 EPHX2 (0.41) EPHX2
SCHEMBL10337038 0.73 FAAH (0.36) PTGS1PPARGMEN1CYP3A4KMT2A
SCHEMBL5630787 0.72 NAAA (0.36) GMNNUSP2LMNACYP1A2POLB

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