SCHEMBL9638240

SCHEMBL9638240

CC(C)CC(C)(C)CCOc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
HRH2 P25021 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
CYP3A4 P08684 3/20 0.42
ALOX15 P16050 3/20 0.42
TSHR P16473 3/20 0.42
ALOX12 P18054 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 3/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL8962073 0.77 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL11528042 0.76 ALDH1A1 (0.63) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL11593953 0.73 MAPT (0.56) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL8962169 0.73 LTA4H (0.63) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL3396942 0.72 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL2730318 0.71 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL11880991 0.70 HTR1B (0.72) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL4317286 0.70 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL11877109 0.70 TAAR1 (0.67) ALDH1A1MAPTMEN1KMT2APTPN7
SCHEMBL24145746 0.69 LTA4H (0.64) HRH2HRH3TSHRRAB9ANPC1

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-5160647-A High temperature lubricants, heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1992-11-03 US claimed