SCHEMBL5629432

SCHEMBL5629432

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
PPARG P37231 3/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
FABP3 P05413 2/20 0.35
PTGS1 P23219 2/20 0.35
DUSP3 P51452 1/20 0.35
PTPN7 P35236 1/20 0.35
FFAR1 O14842 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35
FABP4 P15090 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
GNA15 P30679 1/20 0.35

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 0.96 ABCG2 (0.37) PPARGPTGS1DUSP3LMNACYP3A4
SCHEMBL5632896 0.92 GBA1 (0.31) PPARGPTGS1TSHRABCG2OPRK1
SCHEMBL9468205 0.73 SCN2A (0.42) CYP3A4SOAT1
SCHEMBL8031341 0.73 MMP2 (0.36) DUSP3LMNAFABP4ALOX15HSD17B10
SCHEMBL217509 0.73 EPHX2 (0.35) DUSP3LMNAFABP4ALOX15HSD17B10
Sulfuric Acid SCHEMBL10539699 0.71 EPHX2 (0.41) PPARA
SCHEMBL5711650 0.71 PPARG (0.44) ALDH1A1KDM4EF7F3PPARG
SCHEMBL10337038 0.71 FAAH (0.36) ALDH1A1F7F3PPARGPPARD
SCHEMBL5630787 0.70 NAAA (0.36) LMNAALOX15TSHRHSD17B10
SCHEMBL9098243 0.69 EPHX2 (0.38) LMNAALOX15HSD17B10

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