SCHEMBL6701244

SCHEMBL6701244

CCCCC(O)NCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.39
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SPHK1 Q9NYA1 1/20 0.34
SLC15A1 P46059 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
FDPS P14324 1/20 0.32
DNM1 Q05193 1/20 0.32

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
SCHEMBL6693282 0.86 TSHR (0.35) ADRB2EPHX1CYP3A4TSHR
SCHEMBL6703423 0.82 CNR1 (0.36) ADRB2EPHX1ALDH1A1CYP3A4TSHR
SCHEMBL6280892 0.80 ALDH1A1 (0.39) ADRB2ALDH1A1CYP3A4TSHRCA1
SCHEMBL4938022 0.78 TSHR (0.38) EPHX1ALDH1A1CYP3A4TSHRCA1
SCHEMBL22215000 0.78
SCHEMBL4938091 0.78 DNM1 (0.42) ADRB2ALDH1A1CYP3A4TSHRCA1
SCHEMBL4933295 0.78
SCHEMBL15388566 0.77 GPR84 (0.50) SPHK1
SCHEMBL15388715 0.77 GPR84 (0.50) SPHK1
SCHEMBL17054974 0.77 GPR84 (0.50) SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US claimed
US-20040134838-A1 Method of refining crude oils having organic acidity TOTAL FRANCE (FR) 2004-07-15 US disclosed
EP-1397468-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY Total France (FR) 2004-03-17 EP disclosed
WO-2002097014-A1 METHOD OF REFINING CRUDE OILS HAVING HIGH ORGANIC ACIDITY TOTAL FRANCE (FR) 2002-12-05 WO disclosed