SCHEMBL26626010

SCHEMBL26626010

C=CCCCN1C(=O)C(C)=C(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 2/20 0.36
TERT O14746 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 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
SCHEMBL11167868 0.94 ALDH1A1 (0.42) ALDH1A1PKMTSHRTERTNPC1
SCHEMBL14377618 0.79 ALDH1A1 (0.56) ALDH1A1PKMTERTNPC1RAB9A
SCHEMBL15975535 0.79 ALDH1A1 (0.56) ALDH1A1PKMTERTNPC1RAB9A
SCHEMBL11476165 0.78 ALDH1A1 (0.50) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL15975537 0.77 ALDH1A1 (0.54) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL10703043 0.77 ALDH1A1 (0.54) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL240018 0.77 ALDH1A1 (0.54) ALDH1A1PKMNPC1RAB9ASMN1; SMN2
SCHEMBL571198 0.75 CASP3 (0.54) RAB9ASMN1; SMN2
SCHEMBL9818017 0.73 CASP3 (0.47) ALDH1A1PKMSMN1; SMN2
SCHEMBL24740916 0.72 MGLL (0.62) ALDH1A1PKMRAB9ASMN1; SMN2FAAH

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-4126339-B1 IMPROVED COOLING OF TUBE CONTAINING REACTANTS SIGNIFY HOLDING BV (NL) 2023-11-08 EP disclosed