SCHEMBL23882002

SCHEMBL23882002

CCCCCCCCCCCCCCCCCC(=O)C(N)CCC=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
TSHR P16473 1/20 0.45
FAAH O00519 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SOAT1 P35610 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
RRM1 P23921 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL23882001 1.00 CES2 (0.47) CES2TSHRFAAHMEN1TP53
SCHEMBL936123 1.00 CES2 (0.47) CES2TSHRFAAHMEN1TP53
SCHEMBL20243493 1.00 CES2 (0.47) CES2TSHRFAAHMEN1TP53
SCHEMBL20241158 0.84 BHMT (0.44) TSHRMEN1CYP1A2CYP2C19KMT2A
SCHEMBL27394525 0.84 SLC15A1 (0.46) CES2TSHRFAAHCHRM2CHRM4
SCHEMBL20243486 0.84 BHMT (0.44) TSHRMEN1CYP1A2CYP2C19KMT2A
SCHEMBL904746 0.83 CES2 (0.55) CES2CHRM2CHRM4CHRM1
SCHEMBL5319167 0.83 CES2 (0.55) CES2CHRM2CHRM4CHRM1RRM1
SCHEMBL17374802 0.83 CES2 (0.55) CES2CHRM2CHRM4CHRM1
SCHEMBL11395919 0.83 CES2 (0.55) CES2CHRM2CHRM4CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126004-A1 AGONIST COMBINATION Zealand Pharma A/S (DK) 2023-02-08 EP disclosed
WO-2021198195-A1 AGONIST COMBINATION ZEALAND PHARMA A/S (DK) 2021-10-07 WO disclosed