SCHEMBL24879890

SCHEMBL24879890

C=CCC1C(CCCO)C1C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 6/20 0.35
▸ NPSR1 Q6W5P4 5/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ RECQL P46063 2/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ PPM1B O75688 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PPP1CC P36873 1/20 0.33
▸ CYP4F2 P78329 2/20 0.31
▸ CYP4A11 Q02928 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL24879876 0.84 ALDH1A1 (0.39) ALDH1A1PPM1BPTPN1PPP1CCTSHR
SCHEMBL24879307 0.83 PPM1B (0.30) PPM1BPTPN1PPP1CC
SCHEMBL19032664 0.80 CYP4F2 (0.43) KMT2AALDH1A1MEN1L3MBTL1PPM1B
SCHEMBL24879359 0.77 GRM2 (0.31) KMT2AMEN1
SCHEMBL24879374 0.74 — —
SCHEMBL3954190 0.72 PPM1B (0.44) KMT2AALDH1A1NPSR1PPM1BPTPN1
SCHEMBL1027647 0.72 PPM1B (0.44) KMT2AALDH1A1NPSR1PPM1BPTPN1
SCHEMBL3954185 0.72 PPM1B (0.44) KMT2AALDH1A1NPSR1PPM1BPTPN1
SCHEMBL23533397 0.72 ALDH1A1 (0.46) KMT2AALDH1A1MEN1L3MBTL1PPM1B
SCHEMBL19032508 0.70 MAPT (0.44) KMT2AALDH1A1L3MBTL1PPM1BPTPN1

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-2023281040-A1 STRAINED BI-FUNCTIONALIZED TRANS-CYCLOOCTENES STICHTING RADBOUD UNIVERSITEIT (NL) 2023-01-12 — — WO disclosed
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