SCHEMBL32666145

SCHEMBL32666145

CCOC(=O)C[C@H]1CCc2c1[nH]c1ccc(O)cc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
HTR2A P28223 4/20 0.51
HTR2C P28335 4/20 0.51
GAA P10253 3/20 0.50
SIRT1 Q96EB6 2/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
S1PR1 P21453 6/20 0.47

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
SCHEMBL1918133 1.00 KMT2A (0.55) KMT2AHTR2AHTR2CGAASIRT1
SCHEMBL9658727 0.93 SIRT1 (0.56) KMT2AHTR2AHTR2CGAASIRT1
SCHEMBL25147645 0.90 SIRT1 (0.56) KMT2AGAASIRT1MEN1MAPT
SCHEMBL32666143 0.88 S1PR1 (0.56) KMT2AHTR2AHTR2CSIRT1MAPKAPK2
SCHEMBL4105569 0.88 KMT2A (0.52) KMT2AHTR2AHTR2CGAAMEN1
SCHEMBL1918737 0.87 KMT2A (0.70) KMT2ASIRT1MEN1MAPTLMNA
SCHEMBL12923709 0.85 KMT2A (0.49) KMT2AGAASIRT1MEN1MAPT
SCHEMBL2565349 0.85 KMT2A (0.52) KMT2AGAASIRT1MEN1MAPT
SCHEMBL30762322 0.83 S1PR1 (0.60) HTR2AHTR2CSIRT1MAPKAPK2S1PR1
SCHEMBL2297254 0.83 S1PR1 (0.60) HTR2AHTR2CSIRT1MAPKAPK2S1PR1

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
EP-4685237-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF ETRASIMOD AND RELATED COMPOUNDS CURIA SPAIN, S.A.U. (ES) 2026-01-28 EP disclosed