SCHEMBL7108518

SCHEMBL7108518

CCCCCCCCCCCCCCC(=O)CC(C)(CC)C(=O)CCO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ FAAH O00519 8/20 0.42
▸ CES1 P23141 8/20 0.42
▸ CES2 O00748 5/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ GPR84 Q9NQS5 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
SCHEMBL9514231 0.81 KMT2A (0.52) KMT2AMAPTFAAHCES1CES2
SCHEMBL8061623 0.81 KMT2A (0.47) KMT2AMAPTFAAHCES1CES2
SCHEMBL22681751 0.78 FAAH (0.59) KMT2AFAAHCES1CES2MEN1
SCHEMBL9514227 0.77 GPR84 (0.52) KMT2AFAAHCES1CES2MEN1
SCHEMBL19226597 0.77 NAAA (0.44) KMT2AFAAHCES1CES2MEN1
SCHEMBL31511750 0.76 FAAH (0.58) KMT2AFAAHCES1CES2MEN1
SCHEMBL17546722 0.75 KMT2A (0.42) KMT2AMAPTFAAHCES1CES2
SCHEMBL9177158 0.74 KMT2A (0.52) KMT2AMAPTFAAHCES1CES2
SCHEMBL8897068 0.74 KMT2A (0.52) KMT2AMAPTFAAHCES1CES2
SCHEMBL8096569 0.74 KMT2A (0.52) KMT2AMAPTFAAHCES1CES2

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-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 — — EP disclosed
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