SCHEMBL9801607

SCHEMBL9801607

OCCCCCCCCCCCCCCCCCCCCNCCO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8380124 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL9801087 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL9801759 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL9801081 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL8453720 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL9801205 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL9801155 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL9548174 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL9801631 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1
SCHEMBL9801036 1.00 TP53 (0.44) TP53ALOX15ALDH1A1KDM4ECA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed
US-4594171-A Borated amines and hydrolyzed imidazoline compounds MOBIL OIL CORPORATION (US) 1986-06-10 US disclosed
US-4568472-A MIXED BORATED COMPOUNDS MOBIL OIL CORPORATION (US) 1986-02-04 US disclosed
US-4478732-A MIXED BORATED ETHOXYLATED AMINES OR AMIDES, OR HYDROXYALKYL IMIDAZOLINE OR HYDROXYESTER THEREOF MOBIL OIL CORPORATION (US) 1984-10-23 US disclosed
US-4406802-A LUBRICANTS MOBIL OIL CORPORATION (US) 1983-09-27 US disclosed