SCHEMBL25793564

SCHEMBL25793564

CNCCCNC(=O)CCNC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CASP2 P42575 1/20 0.41
TSHR P16473 1/20 0.40
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
FAAH O00519 3/20 0.37
KISS1R Q969F8 1/20 0.37
POLB P06746 1/20 0.36
LPAR1 Q92633 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
DNM1 Q05193 1/20 0.35

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
SCHEMBL25793462 0.91 CASP2 (0.42) ALDH1A1CASP2TSHRADRB2ADRB1
SCHEMBL25793454 0.90 CASP2 (0.44) CASP2TSHRNAAAMEN1KMT2A
SCHEMBL19880188 0.86 CASP2 (0.52) ALDH1A1CASP2TSHRNAAAMEN1
SCHEMBL10038842 0.86 CASP2 (0.48) ALDH1A1CASP2TSHRNAAAMEN1
SCHEMBL29299613 0.83 ALDH1A1 (0.46) ALDH1A1CASP2TSHRADRB2ADRB1
SCHEMBL19880208 0.81 CASP2 (0.67) CASP2NAAAMEN1KMT2AEPHX1
SCHEMBL29299599 0.81 ALDH1A1 (0.44) ALDH1A1CASP2TSHRADRB2ADRB1
SCHEMBL14000019 0.81 CASP2 (0.60) ALDH1A1CASP2ADRB2NAAAMEN1
SCHEMBL25791250 0.81 TSHR (0.39) ALDH1A1CASP2TSHRADRB2ADRB1
SCHEMBL19350611 0.79 CASP2 (0.57) ALDH1A1CASP2TSHRNAAAMEN1

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
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed