SCHEMBL21837278

SCHEMBL21837278

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL21837277 1.00 ALDH1A1 (0.37) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL112059 0.85 MEN1 (0.33) —
SCHEMBL11369860 0.80 MEN1 (0.36) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11973867 0.75 NPC1 (0.31) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL29487265 0.75 NPC1 (0.31) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL21189905 0.73 FAAH (0.31) —
SCHEMBL28847934 0.72 MEN1 (0.32) —
SCHEMBL11374411 0.72 ALDH1A1 (0.31) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11174692 0.72 MEN1 (0.34) —
SCHEMBL17976889 0.70 FAAH (0.39) TDP1

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-3166586-B1 ANHYDROUS OIL BASED ON DELIVERY PARTICLES CONTAINING A BENEFIT AGENT OREAL (FR) 2020-04-15 — — EP disclosed
Send feedback