SCHEMBL24813893

SCHEMBL24813893

CCNCCCNC(=O)CCOCCOCCOCCNC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CASP2 P42575 1/20 0.38
SAT1 P21673 1/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.35
CYP1A2 P05177 1/20 0.34
FAAH O00519 1/20 0.34
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.33
LPAR1 Q92633 1/20 0.33
GLP1R P43220 1/20 0.33

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
SCHEMBL25793571 0.92 TSHR (0.43) TSHRCASP2SAT1NAAAMEN1
SCHEMBL25678313 0.86 CASP2 (0.49) TSHRCASP2NAAAFAAHLPAR1
SCHEMBL25457786 0.84 FAAH (0.41) TSHRCASP2MEN1KMT2ASMN1; SMN2
SCHEMBL25791257 0.83 TP53 (0.41) TSHRCASP2SAT1MEN1KMT2A
SCHEMBL20353103 0.81 MEN1 (0.41) TSHRCASP2NAAAMEN1KMT2A
SCHEMBL20353102 0.81 MEN1 (0.41) TSHRCASP2NAAAMEN1KMT2A
SCHEMBL25791250 0.81 TSHR (0.39) TSHRCASP2MEN1KMT2ACYP2C19
SCHEMBL25678319 0.80 CASP2 (0.40) TSHRCASP2NAAAMEN1KMT2A
SCHEMBL23729445 0.80 TSHR (0.41) TSHRCASP2NAAAMEN1KMT2A
SCHEMBL21842320 0.80 KDM4E (0.50) TSHRCASP2NAAAMEN1KMT2A

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-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 WO disclosed