SCHEMBL9837646

SCHEMBL9837646

C=CCOc1ccccc1C=NO.CCCCCCCCCCCCOc1ccccc1C=NO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.76
TSHR P16473 1/20 0.76
MAPK1 P28482 1/20 0.76
HSD17B10 Q99714 1/20 0.76
ALDH1A1 P00352 4/20 0.51
USP2 O75604 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 5/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL5078104 0.90 HPGD (0.58) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL6820109 0.90 HPGD (0.58) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL5072961 0.90 HPGD (0.58) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL2283267 0.90 HPGD (0.58) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL5075324 0.90 HPGD (0.58) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL5332341 0.89 HPGD (0.59) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL23680002 0.87 HPGD (1.00) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL7856948 0.87 HPGD (1.00) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL1155738 0.87 HPGD (1.00) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL10694787 0.84 HPGD (0.61) HPGDTSHRMAPK1HSD17B10ALDH1A1

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
EP-0295278-B1 A PROCESS FOR OVERBASING VIA METAL BORATE FORMATION The Lubrizol Corporation (US) 1991-05-08 EP claimed