SCHEMBL25516154

SCHEMBL25516154

CCCOCCOCCNC(=O)COCCOCCOCCOCCOCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 3/20 0.41
TSHR P16473 3/20 0.39
RECQL P46063 1/20 0.39
GLP1R P43220 5/20 0.39
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL25516119 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL25516113 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL12743488 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL19261664 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL13034893 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL25516086 0.94 MEN1 (0.46) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL13684293 0.93 EPHX2 (0.43) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL23518687 0.91 MEN1 (0.46) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL21011153 0.90 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL21172275 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AEPHX2TSHR

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-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed