SCHEMBL27403221

SCHEMBL27403221

CC=CC(C)CCCCCCCCC(C)N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL466754 0.93 OPRM1 (0.42) OPRM1TP53ALDH1A1TDP1
SCHEMBL466753 0.93 OPRM1 (0.42) OPRM1TP53ALDH1A1TDP1
SCHEMBL466728 0.83 OPRM1 (0.35) OPRM1ALDH1A1
SCHEMBL22423462 0.83 OPRM1 (0.35) OPRM1ALDH1A1
SCHEMBL466727 0.83 OPRM1 (0.35) OPRM1ALDH1A1
SCHEMBL466619 0.82 DNM1 (0.36) TRPV1TRPA1ALDH1A1
SCHEMBL466772 0.82 DNM1 (0.36) TRPV1TRPA1ALDH1A1
SCHEMBL466618 0.82 DNM1 (0.36) TRPV1TRPA1ALDH1A1
SCHEMBL466773 0.82 DNM1 (0.36) TRPV1TRPA1ALDH1A1
SCHEMBL2000390 0.79 OPRM1 (0.42) OPRM1TRPA1SPHK1

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
US-20240209184-A1 ALIPHATIC COPOLYAMIDE COMPOSITION BASF SE (DE) 2024-06-27 US disclosed