SCHEMBL17976889

SCHEMBL17976889

C=CCCC(=O)C1=CCCC(C)(C)C1.OCCCCCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.39
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ACHE P22303 1/20 0.34
▸ SGMS1 Q86VZ5 1/20 0.34
▸ SGMS2 Q8NHU3 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ CBS P35520 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL29053977 0.73 ME2 (0.31) —
SCHEMBL21189905 0.70 FAAH (0.31) FAAH
SCHEMBL21837278 0.70 ALDH1A1 (0.37) TDP1
SCHEMBL21837277 0.70 ALDH1A1 (0.37) TDP1
SCHEMBL28847934 0.69 MEN1 (0.32) FAAH
SCHEMBL29487265 0.69 NPC1 (0.31) FAAHNPC1TDP1
SCHEMBL11973867 0.69 NPC1 (0.31) FAAHNPC1TDP1
SCHEMBL11174692 0.69 MEN1 (0.34) FAAHNPC1
SCHEMBL28192234 0.66 TDP1 (0.61) MAPTRXFP1NPC1RAB9AACHE
SCHEMBL16269372 0.65 FAAH (0.31) FAAH

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-2812316-B1 AGENT FOR INHIBITING ODOR OF PYRAZINE DERIVATIVES KAO CORP (JP) 2016-08-17 — — EP disclosed
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